N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C25H20ClN5OS — CID 44816156

IUPACN-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC(c1ccccc1)[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1
InChIInChI=1S/C25H20ClN5OS/c26-23-22(18-15-28-31-14-8-7-13-19(18)31)30-25(33-23)24(32)29-21(17-11-5-2-6-12-17)20(27)16-9-3-1-4-10-16/h1-15,20-21H,27H2,(H,29,32)/t20?,21-/m1/s1
InChIKeyGPNODCFFVUZGIZ-BPGUCPLFSA-N
MW473.99 g/mol
LogP5.28
Rot. Bonds6

About N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44816156) has the molecular formula C25H20ClN5OS and a molecular weight of 473.99 g/mol. Its IUPAC name is N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44816156
Molecular FormulaC25H20ClN5OS
Molecular Weight473.99 g/mol
Exact Mass473.11
IUPAC NameN-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC(c1ccccc1)[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1
InChIInChI=1S/C25H20ClN5OS/c26-23-22(18-15-28-31-14-8-7-13-19(18)31)30-25(33-23)24(32)29-21(17-11-5-2-6-12-17)20(27)16-9-3-1-4-10-16/h1-15,20-21H,27H2,(H,29,32)/t20?,21-/m1/s1
InChIKeyGPNODCFFVUZGIZ-BPGUCPLFSA-N
XLogP5.28
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58386025
[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate
CID 58385971
N-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 67353266
5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-N-quinolin-7-yl-1,3-thiazole-2-carboxamide
CID 58385930
N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 91496655
[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone
CID 58385960
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)ethanone
CID 58385896
5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide
CID 67350502
5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 123569486
5-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44816156) is N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NC(c1ccccc1)[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is GPNODCFFVUZGIZ-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H20ClN5OS/c26-23-22(18-15-28-31-14-8-7-13-19(18)31)30-25(33-23)24(32)29-21(17-11-5-2-6-12-17)20(27)16-9-3-1-4-10-16/h1-15,20-21H,27H2,(H,29,32)/t20?,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44816156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).