6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C24H26ClFN8O2 — CID 139508240

About 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 139508240) has the molecular formula C24H26ClFN8O2 and a molecular weight of 512.98 g/mol. Its IUPAC name is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 139508240
• Molecular Formula: C24H26ClFN8O2
• Molecular Weight: 512.98 g/mol
• Exact Mass: 512.19
• IUPAC Name: 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-c2cnn3cc(Cl)cnc23)cc1Nc1cnn(CC2CC2)c1
• InChI: InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35)
• InChIKey: CMJYQDUGVJLIHG-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 122.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.98
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 139508240) is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-c2cnn3cc(Cl)cnc23)cc1Nc1cnn(CC2CC2)c1.

What is the InChIKey of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The InChIKey is CMJYQDUGVJLIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35).

What are the key properties of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 512.98 g/mol, XLogP of 3.63, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 139508240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).