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

C29H21N5O2 — CID 134305914

IUPACN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C29H21N5O2/c1-18(35)31-27-25(22-14-15-23-21(17-22)13-8-16-30-23)29(36)34-28(32-27)24(19-9-4-2-5-10-19)26(33-34)20-11-6-3-7-12-20/h2-17,33H,1H3,(H,31,35)
InChIKeyZTVQOHARWZZODM-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.53
Rot. Bonds4

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

N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 134305914) has the molecular formula C29H21N5O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID134305914
Molecular FormulaC29H21N5O2
Molecular Weight471.52 g/mol
Exact Mass471.17
IUPAC NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C29H21N5O2/c1-18(35)31-27-25(22-14-15-23-21(17-22)13-8-16-30-23)29(36)34-28(32-27)24(19-9-4-2-5-10-19)26(33-34)20-11-6-3-7-12-20/h2-17,33H,1H3,(H,31,35)
InChIKeyZTVQOHARWZZODM-UHFFFAOYSA-N
XLogP5.53
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)acetamide?
The IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 134305914) is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-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)acetamide?
The canonical SMILES for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide is CC(=O)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)acetamide?
The InChIKey is ZTVQOHARWZZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2/c1-18(35)31-27-25(22-14-15-23-21(17-22)13-8-16-30-23)29(36)34-28(32-27)24(19-9-4-2-5-10-19)26(33-34)20-11-6-3-7-12-20/h2-17,33H,1H3,(H,31,35).
What are the key properties of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 471.52 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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)acetamide is sourced from PubChem (CID 134305914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).