N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide

C32H23N7O2 — CID 139363602

About N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide

N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 139363602) has the molecular formula C32H23N7O2 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide
• PubChem CID: 139363602
• Molecular Formula: C32H23N7O2
• Molecular Weight: 537.58 g/mol
• Exact Mass: 537.19
• IUPAC Name: N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide
• SMILES: O=C(Cc1ccn[nH]1)Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
• InChI: InChI=1S/C32H23N7O2/c40-26(19-24-15-17-34-37-24)35-30-28(23-13-14-25-22(18-23)12-7-16-33-25)32(41)39-31(36-30)27(20-8-3-1-4-9-20)29(38-39)21-10-5-2-6-11-21/h1-18,38H,19H2,(H,34,37)(H,35,40)
• InChIKey: YJAMVEXTPRSWMA-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 120.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.58
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide?

The IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide (CID 139363602) is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide.

What is the SMILES notation for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide?

The canonical SMILES for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.

What is the InChIKey of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide?

The InChIKey is YJAMVEXTPRSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N7O2/c40-26(19-24-15-17-34-37-24)35-30-28(23-13-14-25-22(18-23)12-7-16-33-25)32(41)39-31(36-30)27(20-8-3-1-4-9-20)29(38-39)21-10-5-2-6-11-21/h1-18,38H,19H2,(H,34,37)(H,35,40).

What are the key properties of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide?

N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 537.58 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 139363602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).