N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H34N6O2 — CID 125025787

About N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125025787) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 125025787
• Molecular Formula: C28H34N6O2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.27
• IUPAC Name: N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCCC1)c1cnn2c([C@@H]3CCCN3C(=O)c3cccc(N4CCCCC4)c3)ccnc12
• InChI: InChI=1S/C28H34N6O2/c35-27(31-21-9-2-3-10-21)23-19-30-34-25(13-14-29-26(23)34)24-12-7-17-33(24)28(36)20-8-6-11-22(18-20)32-15-4-1-5-16-32/h6,8,11,13-14,18-19,21,24H,1-5,7,9-10,12,15-17H2,(H,31,35)/t24-/m0/s1
• InChIKey: ZPBHHJUPWQGWCW-DEOSSOPVSA-N
• XLogP: 4.37
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125025787) is N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1cnn2c([C@@H]3CCCN3C(=O)c3cccc(N4CCCCC4)c3)ccnc12.

What is the InChIKey of N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZPBHHJUPWQGWCW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34N6O2/c35-27(31-21-9-2-3-10-21)23-19-30-34-25(13-14-29-26(23)34)24-12-7-17-33(24)28(36)20-8-6-11-22(18-20)32-15-4-1-5-16-32/h6,8,11,13-14,18-19,21,24H,1-5,7,9-10,12,15-17H2,(H,31,35)/t24-/m0/s1.

What are the key properties of N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-7-[(2S)-1-(3-piperidin-1-ylbenzoyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125025787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).