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

C22H26FN7O2 — CID 137449167

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

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449167) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449167
• Molecular Formula: C22H26FN7O2
• Molecular Weight: 439.50 g/mol
• Exact Mass: 439.21
• IUPAC Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@H]3C[C@H]3F)NC4=CC=CN(C4=O)C5CCCCC5
• InChI: InChI=1S/C22H26FN7O2/c1-24-19-11-18(26-16-8-5-9-29(22(16)32)13-6-3-2-4-7-13)28-20-14(12-25-30(19)20)21(31)27-17-10-15(17)23/h5,8-9,11-13,15,17,24H,2-4,6-7,10H2,1H3,(H,26,28)(H,27,31)/t15-,17+/m1/s1
• InChIKey: XRAVXORFYKUEPD-WBVHZDCISA-N
• XLogP: 2.90
• TPSA: 104.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: 799

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.50
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449167) is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@H]3C[C@H]3F)NC4=CC=CN(C4=O)C5CCCCC5.

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

The InChIKey is XRAVXORFYKUEPD-WBVHZDCISA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-24-19-11-18(26-16-8-5-9-29(22(16)32)13-6-3-2-4-7-13)28-20-14(12-25-30(19)20)21(31)27-17-10-15(17)23/h5,8-9,11-13,15,17,24H,2-4,6-7,10H2,1H3,(H,26,28)(H,27,31)/t15-,17+/m1/s1.

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

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).