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

C20H18N4O3 — CID 135902537

IUPAC(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-9-7-14(8-10-15)21-20(26)17-12-19(25)22-18-11-16(23-24(17)18)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyPGDULXLIJBFXIT-KRWDZBQOSA-N
MW362.39 g/mol
LogP3.08
Rot. Bonds4

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

(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902537) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135902537
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-9-7-14(8-10-15)21-20(26)17-12-19(25)22-18-11-16(23-24(17)18)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyPGDULXLIJBFXIT-KRWDZBQOSA-N
XLogP3.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 136087047
2-(3-Methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983710
2-(4-Fluoro-3-methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983722
US9447106, 133a (peak 1)
CID 137228122
N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl]-L-Alaninamide
CID 135566753
5-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2884479
N-(4-methoxyphenyl)[5-(4-methoxyphenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazo lo[1,5-a]1,3-diazaperhydroin-2-yl)]carboxamide
CID 4319401
N-(4-ethoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026211
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 16026527
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026588
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 16026590

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902537) is (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccccc4)nn32)cc1.
What is the InChIKey of (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PGDULXLIJBFXIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-15-9-7-14(8-10-15)21-20(26)17-12-19(25)22-18-11-16(23-24(17)18)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1.
What are the key properties of (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).