N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H39FN8O2 — CID 129134573

About N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129134573) has the molecular formula C24H39FN8O2 and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129134573
• Molecular Formula: C24H39FN8O2
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.32
• IUPAC Name: N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3N3CCC4(CC3)CN(C(C)=O)C4)c21
• InChI: InChI=1S/C24H39FN8O2/c1-3-8-31-12-17(25)13-33-23(31)20(21(26)29-33)22(35)28-18-11-27-7-4-19(18)30-9-5-24(6-10-30)14-32(15-24)16(2)34/h17-19,27H,3-15H2,1-2H3,(H2,26,29)(H,28,35)
• InChIKey: XWSUGUHXLWGTLR-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 111.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129134573) is N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3N3CCC4(CC3)CN(C(C)=O)C4)c21.

What is the InChIKey of N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XWSUGUHXLWGTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN8O2/c1-3-8-31-12-17(25)13-33-23(31)20(21(26)29-33)22(35)28-18-11-27-7-4-19(18)30-9-5-24(6-10-30)14-32(15-24)16(2)34/h17-19,27H,3-15H2,1-2H3,(H2,26,29)(H,28,35).

What are the key properties of N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-3-yl]-2-amino-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129134573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).