N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25FN6O2 — CID 130325538

About N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130325538) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 130325538
• Molecular Formula: C21H25FN6O2
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.20
• IUPAC Name: N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(CNC(=O)c1cnn2ccc(N3CCCC3C)nc12)Cn1cc(F)ccc1=O
• InChI: InChI=1S/C21H25FN6O2/c1-14(12-26-13-16(22)5-6-19(26)29)10-23-21(30)17-11-24-28-9-7-18(25-20(17)28)27-8-3-4-15(27)2/h5-7,9,11,13-15H,3-4,8,10,12H2,1-2H3,(H,23,30)
• InChIKey: DDBVATMOPUUPPO-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130325538) is N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(CNC(=O)c1cnn2ccc(N3CCCC3C)nc12)Cn1cc(F)ccc1=O.

What is the InChIKey of N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DDBVATMOPUUPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-14(12-26-13-16(22)5-6-19(26)29)10-23-21(30)17-11-24-28-9-7-18(25-20(17)28)27-8-3-4-15(27)2/h5-7,9,11,13-15H,3-4,8,10,12H2,1-2H3,(H,23,30).

What are the key properties of N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 130325538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).