4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide

C24H19ClF4N6O2S — CID 177252322

About 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 177252322) has the molecular formula C24H19ClF4N6O2S and a molecular weight of 566.97 g/mol. Its IUPAC name is 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 177252322
• Molecular Formula: C24H19ClF4N6O2S
• Molecular Weight: 566.97 g/mol
• Exact Mass: 566.09
• IUPAC Name: 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nc2cc(F)c(N3CCC(F)(F)CC3)nc2s1
• InChI: InChI=1S/C24H19ClF4N6O2S/c1-11-7-12(17-16(37-2)10-31-19(25)18(17)27)13(9-30-11)21(36)34-23-32-15-8-14(26)20(33-22(15)38-23)35-5-3-24(28,29)4-6-35/h7-10H,3-6H2,1-2H3,(H,32,34,36)
• InChIKey: VLIDOUZJIBTFRF-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.97
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide (CID 177252322) is 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nc2cc(F)c(N3CCC(F)(F)CC3)nc2s1.

What is the InChIKey of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is VLIDOUZJIBTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N6O2S/c1-11-7-12(17-16(37-2)10-31-19(25)18(17)27)13(9-30-11)21(36)34-23-32-15-8-14(26)20(33-22(15)38-23)35-5-3-24(28,29)4-6-35/h7-10H,3-6H2,1-2H3,(H,32,34,36).

What are the key properties of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide?

4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 566.97 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 177252322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).