4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide

C17H13ClF3N5OS — CID 143938731

About 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide

4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 143938731) has the molecular formula C17H13ClF3N5OS and a molecular weight of 427.84 g/mol. Its IUPAC name is 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 143938731
• Molecular Formula: C17H13ClF3N5OS
• Molecular Weight: 427.84 g/mol
• Exact Mass: 427.05
• IUPAC Name: 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide
• SMILES: [H]/N=C1\CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3cc(F)c(Cl)cc23)cs1
• InChI: InChI=1S/C17H13ClF3N5OS/c18-9-4-13-8(5-23-26(13)6-10(9)19)12-7-28-16(24-12)15(27)25-14-11(22)2-1-3-17(14,20)21/h4-7,14,22H,1-3H2,(H,25,27)/b22-11+/t14-/m1/s1
• InChIKey: OBZOECMNWYFKND-DACUGSJHSA-N
• XLogP: 4.19
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.84
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide (CID 143938731) is 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide is [H]/N=C1\CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3cc(F)c(Cl)cc23)cs1.

What is the InChIKey of 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide?

The InChIKey is OBZOECMNWYFKND-DACUGSJHSA-N. The full InChI is InChI=1S/C17H13ClF3N5OS/c18-9-4-13-8(5-23-26(13)6-10(9)19)12-7-28-16(24-12)15(27)25-14-11(22)2-1-3-17(14,20)21/h4-7,14,22H,1-3H2,(H,25,27)/b22-11+/t14-/m1/s1.

What are the key properties of 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide?

4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 427.84 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 143938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).