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

C21H26ClFN6O3 — CID 139508206

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

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide (PubChem CID 139508206) has the molecular formula C21H26ClFN6O3 and a molecular weight of 464.93 g/mol. Its IUPAC name is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide
• PubChem CID: 139508206
• Molecular Formula: C21H26ClFN6O3
• Molecular Weight: 464.93 g/mol
• Exact Mass: 464.17
• IUPAC Name: 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide
• SMILES: CC[C@H](O)CNc1cc(-c2cnn3cc(Cl)cnc23)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C21H26ClFN6O3/c1-4-13(30)7-24-17-5-16(14-9-28-29-11-12(22)6-26-19(14)29)25-8-15(17)20(31)27-10-18(23)21(2,3)32/h5-6,8-9,11,13,18,30,32H,4,7,10H2,1-3H3,(H,24,25)(H,27,31)/t13-,18+/m0/s1
• InChIKey: SAJPYGGUIXKCAS-SCLBCKFNSA-N
• XLogP: 2.47
• TPSA: 124.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.93
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide (CID 139508206) is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide is CC[C@H](O)CNc1cc(-c2cnn3cc(Cl)cnc23)ncc1C(=O)NC[C@@H](F)C(C)(C)O.

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

The InChIKey is SAJPYGGUIXKCAS-SCLBCKFNSA-N. The full InChI is InChI=1S/C21H26ClFN6O3/c1-4-13(30)7-24-17-5-16(14-9-28-29-11-12(22)6-26-19(14)29)25-8-15(17)20(31)27-10-18(23)21(2,3)32/h5-6,8-9,11,13,18,30,32H,4,7,10H2,1-3H3,(H,24,25)(H,27,31)/t13-,18+/m0/s1.

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

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 2.47, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 139508206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).