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

C20H23ClF2N6O2 — CID 139508096

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

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 139508096) has the molecular formula C20H23ClF2N6O2 and a molecular weight of 452.89 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)-1-fluoropropan-2-yl]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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide
• PubChem CID: 139508096
• Molecular Formula: C20H23ClF2N6O2
• Molecular Weight: 452.89 g/mol
• Exact Mass: 452.15
• IUPAC Name: 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H](CF)Nc1cc(-c2cnn3cc(Cl)cnc23)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C20H23ClF2N6O2/c1-11(5-22)28-16-4-15(13-8-27-29-10-12(21)6-25-18(13)29)24-7-14(16)19(30)26-9-17(23)20(2,3)31/h4,6-8,10-11,17,31H,5,9H2,1-3H3,(H,24,28)(H,26,30)/t11-,17+/m0/s1
• InChIKey: JIXHISWQOMWTKU-APPDUMDISA-N
• XLogP: 3.05
• TPSA: 104.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.89
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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)-1-fluoropropan-2-yl]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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide (CID 139508096) is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-fluoropropan-2-yl]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)-1-fluoropropan-2-yl]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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide is C[C@@H](CF)Nc1cc(-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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide?

The InChIKey is JIXHISWQOMWTKU-APPDUMDISA-N. The full InChI is InChI=1S/C20H23ClF2N6O2/c1-11(5-22)28-16-4-15(13-8-27-29-10-12(21)6-25-18(13)29)24-7-14(16)19(30)26-9-17(23)20(2,3)31/h4,6-8,10-11,17,31H,5,9H2,1-3H3,(H,24,28)(H,26,30)/t11-,17+/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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide?

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 452.89 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 139508096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).