5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

C15H9ClFN5OS — CID 177202450

IUPAC5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCn1cc2cc(NC(=O)c3nc4ccc(Cl)nc4s3)cc(F)c2n1
InChIInChI=1S/C15H9ClFN5OS/c1-22-6-7-4-8(5-9(17)12(7)21-22)18-13(23)15-19-10-2-3-11(16)20-14(10)24-15/h2-6H,1H3,(H,18,23)
InChIKeyNLPYVHSYJVPGJG-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 177202450) has the molecular formula C15H9ClFN5OS and a molecular weight of 361.79 g/mol. Its IUPAC name is 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID177202450
Molecular FormulaC15H9ClFN5OS
Molecular Weight361.79 g/mol
Exact Mass361.02
IUPAC Name5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCn1cc2cc(NC(=O)c3nc4ccc(Cl)nc4s3)cc(F)c2n1
InChIInChI=1S/C15H9ClFN5OS/c1-22-6-7-4-8(5-9(17)12(7)21-22)18-13(23)15-19-10-2-3-11(16)20-14(10)24-15/h2-6H,1H3,(H,18,23)
InChIKeyNLPYVHSYJVPGJG-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

US10435396, Example 50
CID 137377542
N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229964
N-[2-chloro-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229974
N-(2-chlorophenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371697
N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371699
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
CID 27536767
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
CID 27536875
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
CID 27549512
US9951086, Example 78
CID 118182535
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide
CID 27549507
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27555777
N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44814593

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 177202450) is 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is Cn1cc2cc(NC(=O)c3nc4ccc(Cl)nc4s3)cc(F)c2n1.
What is the InChIKey of 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is NLPYVHSYJVPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5OS/c1-22-6-7-4-8(5-9(17)12(7)21-22)18-13(23)15-19-10-2-3-11(16)20-14(10)24-15/h2-6H,1H3,(H,18,23).
What are the key properties of 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 177202450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).