5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide

C24H22ClFN6O4S2 — CID 170348330

IUPAC5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H](c1nccc(NS(=O)(=O)C2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1
InChIInChI=1S/C24H22ClFN6O4S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(37-19)23(33)30-21(13-5-8-36-12-13)22-20(26)17(3-6-27-22)31-38(34,35)15-1-2-15/h3-4,6-7,9-11,13,15,21H,1-2,5,8,12H2,(H,27,31)(H,30,33)/t13-,21-/m1/s1
InChIKeyYZMRHFZJQKDZOD-LRTDBIEQSA-N
MW577.06 g/mol
LogP4.06
Rot. Bonds8

About 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 170348330) has the molecular formula C24H22ClFN6O4S2 and a molecular weight of 577.06 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID170348330
Molecular FormulaC24H22ClFN6O4S2
Molecular Weight577.06 g/mol
Exact Mass576.08
IUPAC Name5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H](c1nccc(NS(=O)(=O)C2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1
InChIInChI=1S/C24H22ClFN6O4S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(37-19)23(33)30-21(13-5-8-36-12-13)22-20(26)17(3-6-27-22)31-38(34,35)15-1-2-15/h3-4,6-7,9-11,13,15,21H,1-2,5,8,12H2,(H,27,31)(H,30,33)/t13-,21-/m1/s1
InChIKeyYZMRHFZJQKDZOD-LRTDBIEQSA-N
XLogP4.06
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.06
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide (CID 170348330) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide is O=C(N[C@@H](c1nccc(NS(=O)(=O)C2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1.
What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YZMRHFZJQKDZOD-LRTDBIEQSA-N. The full InChI is InChI=1S/C24H22ClFN6O4S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(37-19)23(33)30-21(13-5-8-36-12-13)22-20(26)17(3-6-27-22)31-38(34,35)15-1-2-15/h3-4,6-7,9-11,13,15,21H,1-2,5,8,12H2,(H,27,31)(H,30,33)/t13-,21-/m1/s1.
What are the key properties of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 577.06 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(R)-[4-(cyclopropylsulfonylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170348330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).