(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide

C24H24N6O2 — CID 176594482

IUPAC(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)Nc2cc(-c3ccc4nc(N)nn4c3)ccc2C)cc1
InChIInChI=1S/C24H24N6O2/c1-15-3-6-17(7-4-15)21-11-12-32-30(21)24(31)26-20-13-18(8-5-16(20)2)19-9-10-22-27-23(25)28-29(22)14-19/h3-10,13-14,21H,11-12H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m0/s1
InChIKeyLKFSWAJNMPWTNU-NRFANRHFSA-N
MW428.50 g/mol
LogP4.51
Rot. Bonds3

About (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide

(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide (PubChem CID 176594482) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide
PubChem CID176594482
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)Nc2cc(-c3ccc4nc(N)nn4c3)ccc2C)cc1
InChIInChI=1S/C24H24N6O2/c1-15-3-6-17(7-4-15)21-11-12-32-30(21)24(31)26-20-13-18(8-5-16(20)2)19-9-10-22-27-23(25)28-29(22)14-19/h3-10,13-14,21H,11-12H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m0/s1
InChIKeyLKFSWAJNMPWTNU-NRFANRHFSA-N
XLogP4.51
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)-1,2-oxazolidine-2-carboxamide
CID 176594560
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594506
N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594458
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-fluorophenyl)oxazine-2-carboxamide
CID 170171049
N-[5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594538
N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594517
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594547
N,3-diphenyl-1,2-oxazolidine-2-carboxamide
CID 154595659
N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
CID 67216149
6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556448
N-(5-chloro-2-methylphenyl)-2-cyclopropylimidazo[1,2-b]pyridazine-6-carboxamide
CID 154854045

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide?
The IUPAC name of (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide (CID 176594482) is (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide.
What is the SMILES notation for (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide?
The canonical SMILES for (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide is Cc1ccc([C@@H]2CCON2C(=O)Nc2cc(-c3ccc4nc(N)nn4c3)ccc2C)cc1.
What is the InChIKey of (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide?
The InChIKey is LKFSWAJNMPWTNU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-3-6-17(7-4-15)21-11-12-32-30(21)24(31)26-20-13-18(8-5-16(20)2)19-9-10-22-27-23(25)28-29(22)14-19/h3-10,13-14,21H,11-12H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m0/s1.
What are the key properties of (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide?
(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).