N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25FN6O2 — CID 77304261

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

N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 77304261) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 77304261
• Molecular Formula: C22H25FN6O2
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.20
• IUPAC Name: N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cn(C)c3=O)nc12)C1CC1
• InChI: InChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)
• InChIKey: ISCJKTYZQXHEBM-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 77304261) is N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cn(C)c3=O)nc12)C1CC1.

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

The InChIKey is ISCJKTYZQXHEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30).

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

N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 77304261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).