5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26F2N8O2 — CID 146570223

About 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146570223) has the molecular formula C24H26F2N8O2 and a molecular weight of 496.52 g/mol. Its IUPAC name is 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146570223
• Molecular Formula: C24H26F2N8O2
• Molecular Weight: 496.52 g/mol
• Exact Mass: 496.21
• IUPAC Name: 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3CCC[C@@H](C#N)C3)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12
• InChI: InChI=1S/C24H26F2N8O2/c1-28-20-11-19(30-17-6-3-9-33(23(17)36)15-5-2-4-14(10-15)12-27)32-21-16(13-29-34(20)21)22(35)31-18-7-8-24(18,25)26/h3,6,9,11,13-15,18,28H,2,4-5,7-8,10H2,1H3,(H,30,32)(H,31,35)/t14-,15+,18+/m1/s1
• InChIKey: QMRYVQUMDZSRGH-VKJFTORMSA-N
• XLogP: 3.46
• TPSA: 129.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.52
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146570223) is 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCC[C@@H](C#N)C3)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.

What is the InChIKey of 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QMRYVQUMDZSRGH-VKJFTORMSA-N. The full InChI is InChI=1S/C24H26F2N8O2/c1-28-20-11-19(30-17-6-3-9-33(23(17)36)15-5-2-4-14(10-15)12-27)32-21-16(13-29-34(20)21)22(35)31-18-7-8-24(18,25)26/h3,6,9,11,13-15,18,28H,2,4-5,7-8,10H2,1H3,(H,30,32)(H,31,35)/t14-,15+,18+/m1/s1.

What are the key properties of 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146570223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).