[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate

C26H20ClN3O2S — CID 58385971

IUPAC[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate
SMILESO=C(OC[C@@H](Cc1ccccc1)c1ccccc1)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C26H20ClN3O2S/c27-24-23(21-16-28-30-14-8-7-13-22(21)30)29-25(33-24)26(31)32-17-20(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16,20H,15,17H2/t20-/m1/s1
InChIKeyDUAVNRVCGFYXCW-HXUWFJFHSA-N
MW473.99 g/mol
LogP6.29
Rot. Bonds7

About [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate

[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate (PubChem CID 58385971) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Name[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate
PubChem CID58385971
Molecular FormulaC26H20ClN3O2S
Molecular Weight473.99 g/mol
Exact Mass473.10
IUPAC Name[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate
SMILESO=C(OC[C@@H](Cc1ccccc1)c1ccccc1)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C26H20ClN3O2S/c27-24-23(21-16-28-30-14-8-7-13-22(21)30)29-25(33-24)26(31)32-17-20(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16,20H,15,17H2/t20-/m1/s1
InChIKeyDUAVNRVCGFYXCW-HXUWFJFHSA-N
XLogP6.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816156
N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58386025
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
N-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
[(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
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
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-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381
5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 123569486
[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
CID 143938801
5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide
CID 67350502
phenyl(pyrazolo[1,5-a]pyridin-3-yl)methanamine
CID 103125948

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate?
The IUPAC name of [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate (CID 58385971) is [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate?
The canonical SMILES for [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate is O=C(OC[C@@H](Cc1ccccc1)c1ccccc1)c1nc(-c2cnn3ccccc23)c(Cl)s1.
What is the InChIKey of [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate?
The InChIKey is DUAVNRVCGFYXCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c27-24-23(21-16-28-30-14-8-7-13-22(21)30)29-25(33-24)26(31)32-17-20(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16,20H,15,17H2/t20-/m1/s1.
What are the key properties of [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate?
[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate has a molecular weight of 473.99 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 58385971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).