EAZ
(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
Created: | 2018-03-12 |
Last modified: | 2018-07-18 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 48 |
Chiral Atom Count | 1 |
Bond Count | 50 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine |
Systematic Name (OpenEye OEToolkits) | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine |
Formula | C19 H24 N4 O |
Molecular Weight | 324.42 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)C[CH](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OCC(CC(C)C)N |
Canonical SMILES | CACTVS | 3.385 | CC(C)C[C@H](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C19H24N4O/c1-12(2)6-16(20)11-24-17-7-15(9-21-10-17)14-4-5-19-18(8-14)13(3)22-23-19/h4-5,7-10,12,16H,6,11,20H2,1-3H3,(H,22,23)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | CEDLXWRFEZCVEU-INIZCTEOSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 69918127 |