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

C23H22N4O5 — CID 135902107

IUPAC(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC
InChIInChI=1S/C23H22N4O5/c1-13(28)14-4-7-16(8-5-14)24-23(30)18-12-22(29)25-21-11-17(26-27(18)21)15-6-9-19(31-2)20(10-15)32-3/h4-11,18H,12H2,1-3H3,(H,24,30)(H,25,29)/t18-/m1/s1
InChIKeyQFLHRTJCPKEDDZ-GOSISDBHSA-N
MW434.45 g/mol
LogP3.29
Rot. Bonds6

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

(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902107) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135902107
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC
InChIInChI=1S/C23H22N4O5/c1-13(28)14-4-7-16(8-5-14)24-23(30)18-12-22(29)25-21-11-17(26-27(18)21)15-6-9-19(31-2)20(10-15)32-3/h4-11,18H,12H2,1-3H3,(H,24,30)(H,25,29)/t18-/m1/s1
InChIKeyQFLHRTJCPKEDDZ-GOSISDBHSA-N
XLogP3.29
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655186
2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655490
(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901652
(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
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
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
2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654723
N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4901479
(7R)-N-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902400
(7S)-N-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901618

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902107) is (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC.
What is the InChIKey of (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is QFLHRTJCPKEDDZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-13(28)14-4-7-16(8-5-14)24-23(30)18-12-22(29)25-21-11-17(26-27(18)21)15-6-9-19(31-2)20(10-15)32-3/h4-11,18H,12H2,1-3H3,(H,24,30)(H,25,29)/t18-/m1/s1.
What are the key properties of (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).