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

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count50
Aromatic Bond Count16
2D diagram of EAZ

Chemical Component Summary

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
FormulaC19 H24 N4 O
Molecular Weight324.42
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)C[CH](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2
SMILESOpenEye OEToolkits2.0.6Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OCC(CC(C)C)N
Canonical SMILESCACTVS3.385 CC(C)C[C@H](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N
InChIInChI1.03 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
InChIKeyInChI1.03 CEDLXWRFEZCVEU-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 69918127