(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H22N4O5 — CID 135901652

IUPAC(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1
InChIInChI=1S/C22H22N4O5/c1-29-15-7-5-14(6-8-15)23-22(28)17-12-21(27)24-20-11-16(25-26(17)20)13-4-9-18(30-2)19(10-13)31-3/h4-11,17H,12H2,1-3H3,(H,23,28)(H,24,27)/t17-/m0/s1
InChIKeyPNZAPUMTTUGBHM-KRWDZBQOSA-N
MW422.44 g/mol
LogP3.10
Rot. Bonds6

About (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135901652) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135901652
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1
InChIInChI=1S/C22H22N4O5/c1-29-15-7-5-14(6-8-15)23-22(28)17-12-21(27)24-20-11-16(25-26(17)20)13-4-9-18(30-2)19(10-13)31-3/h4-11,17H,12H2,1-3H3,(H,23,28)(H,24,27)/t17-/m0/s1
InChIKeyPNZAPUMTTUGBHM-KRWDZBQOSA-N
XLogP3.10
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655490
(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902107
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655186
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
(7R)-N-(3,4-dimethoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902199
(7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135950448
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633533
(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901713
(7R)-N-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902400
2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654723
N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135632873
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4910489

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135901652) is (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1.
What is the InChIKey of (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PNZAPUMTTUGBHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-29-15-7-5-14(6-8-15)23-22(28)17-12-21(27)24-20-11-16(25-26(17)20)13-4-9-18(30-2)19(10-13)31-3/h4-11,17H,12H2,1-3H3,(H,23,28)(H,24,27)/t17-/m0/s1.
What are the key properties of (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135901652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).