N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C29H24N6O2 — CID 46170549

About N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46170549) has the molecular formula C29H24N6O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 46170549
• Molecular Formula: C29H24N6O2
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.20
• IUPAC Name: N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)N(CCC#N)Cc2cccnc2)n2nc(-c3ccccc3)cc2n1
• InChI: InChI=1S/C29H24N6O2/c1-37-27-13-6-5-12-23(27)25-17-26(29(36)34(16-8-14-30)20-21-9-7-15-31-19-21)35-28(32-25)18-24(33-35)22-10-3-2-4-11-22/h2-7,9-13,15,17-19H,8,16,20H2,1H3
• InChIKey: ANAPFTXAQROEGW-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 96.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46170549) is N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cc(C(=O)N(CCC#N)Cc2cccnc2)n2nc(-c3ccccc3)cc2n1.

What is the InChIKey of N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is ANAPFTXAQROEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O2/c1-37-27-13-6-5-12-23(27)25-17-26(29(36)34(16-8-14-30)20-21-9-7-15-31-19-21)35-28(32-25)18-24(33-35)22-10-3-2-4-11-22/h2-7,9-13,15,17-19H,8,16,20H2,1H3.

What are the key properties of N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46170549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).