7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H19N5O4 — CID 135653698

IUPAC7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2C1c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N5O4/c1-13-20(23(29)27-16-5-3-4-6-17(16)30-2)21(28-22(26-13)15(10-24)11-25-28)14-7-8-18-19(9-14)32-12-31-18/h3-9,11,21,26H,12H2,1-2H3,(H,27,29)
InChIKeyVMBARSRCNXDGAH-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.42
Rot. Bonds4

About 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135653698) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135653698
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2C1c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N5O4/c1-13-20(23(29)27-16-5-3-4-6-17(16)30-2)21(28-22(26-13)15(10-24)11-25-28)14-7-8-18-19(9-14)32-12-31-18/h3-9,11,21,26H,12H2,1-2H3,(H,27,29)
InChIKeyVMBARSRCNXDGAH-UHFFFAOYSA-N
XLogP3.42
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(7R)-7-(1,3-benzodioxol-5-yl)-2-ethyl-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755003
3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135658788
(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136798150
(4S)-4-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1135339
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
(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
(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-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136768204

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135653698) is 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2C1c1ccc2c(c1)OCO2.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VMBARSRCNXDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-13-20(23(29)27-16-5-3-4-6-17(16)30-2)21(28-22(26-13)15(10-24)11-25-28)14-7-8-18-19(9-14)32-12-31-18/h3-9,11,21,26H,12H2,1-2H3,(H,27,29).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135653698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).