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

C24H22ClFN6O2S2 — CID 169251133

IUPAC5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC(c1nccc(NSC2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1
InChIInChI=1S/C24H22ClFN6O2S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(35-19)23(33)30-21(13-5-8-34-12-13)22-20(26)17(3-6-27-22)31-36-15-1-2-15/h3-4,6-7,9-11,13,15,21H,1-2,5,8,12H2,(H,27,31)(H,30,33)/t13-,21?/m1/s1
InChIKeyGUWBSLFGAAFICD-ILRUXTBWSA-N
MW545.07 g/mol
LogP5.38
Rot. Bonds8

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251133) has the molecular formula C24H22ClFN6O2S2 and a molecular weight of 545.07 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-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-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID169251133
Molecular FormulaC24H22ClFN6O2S2
Molecular Weight545.07 g/mol
Exact Mass544.09
IUPAC Name5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC(c1nccc(NSC2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1
InChIInChI=1S/C24H22ClFN6O2S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(35-19)23(33)30-21(13-5-8-34-12-13)22-20(26)17(3-6-27-22)31-36-15-1-2-15/h3-4,6-7,9-11,13,15,21H,1-2,5,8,12H2,(H,27,31)(H,30,33)/t13-,21?/m1/s1
InChIKeyGUWBSLFGAAFICD-ILRUXTBWSA-N
XLogP5.38
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.07
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-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-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide (CID 169251133) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-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-[[4-(cyclopropylsulfanylamino)-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-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide is O=C(NC(c1nccc(NSC2CC2)c1F)[C@@H]1CCOC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1.
What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is GUWBSLFGAAFICD-ILRUXTBWSA-N. The full InChI is InChI=1S/C24H22ClFN6O2S2/c25-14-4-7-32-18(9-14)16(10-29-32)19-11-28-24(35-19)23(33)30-21(13-5-8-34-12-13)22-20(26)17(3-6-27-22)31-36-15-1-2-15/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-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide?
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 545.07 g/mol, XLogP of 5.38, 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-[[4-(cyclopropylsulfanylamino)-3-fluoro-2-pyridinyl]-[(3S)-oxolan-3-yl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).