(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C23H20N6O3 — CID 136798150

IUPAC(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@H]1c1ccc(C#N)cc1
InChIInChI=1S/C23H20N6O3/c1-13-19(23(31)28-17-5-3-4-6-18(17)32-2)20(15-9-7-14(11-24)8-10-15)29-22(27-13)16(12-26-29)21(25)30/h3-10,12,20,27H,1-2H3,(H2,25,30)(H,28,31)/t20-/m0/s1
InChIKeyPAAVQSXSCYVROT-FQEVSTJZSA-N
MW428.45 g/mol
LogP2.79
Rot. Bonds5

About (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 136798150) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID136798150
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@H]1c1ccc(C#N)cc1
InChIInChI=1S/C23H20N6O3/c1-13-19(23(31)28-17-5-3-4-6-18(17)32-2)20(15-9-7-14(11-24)8-10-15)29-22(27-13)16(12-26-29)21(25)30/h3-10,12,20,27H,1-2H3,(H2,25,30)(H,28,31)/t20-/m0/s1
InChIKeyPAAVQSXSCYVROT-FQEVSTJZSA-N
XLogP2.79
TPSA135.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136768204
(7R)-7-(3,4-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136680150
(7S)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-7-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136865067
(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136718362
(7R)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136718363
6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551078
(7S)-6-N-(2-methoxyphenyl)-5-methyl-3-N,7-bis(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674482
7-(4-cyanophenyl)-2-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135770010
(7S)-6-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674479
(7R)-6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136865089
7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135653698
methyl (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136793502

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 136798150) is (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@H]1c1ccc(C#N)cc1.
What is the InChIKey of (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is PAAVQSXSCYVROT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-13-19(23(31)28-17-5-3-4-6-18(17)32-2)20(15-9-7-14(11-24)8-10-15)29-22(27-13)16(12-26-29)21(25)30/h3-10,12,20,27H,1-2H3,(H2,25,30)(H,28,31)/t20-/m0/s1.
What are the key properties of (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 136798150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).