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

C30H29N5O3 — CID 135410424

IUPAC6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1C
InChIInChI=1S/C30H29N5O3/c1-18-10-9-12-21(16-18)33-29(36)23-17-31-35-27(22-13-6-5-11-19(22)2)26(20(3)32-28(23)35)30(37)34-24-14-7-8-15-25(24)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyAFNKVQYEJQUONZ-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.69
Rot. Bonds6

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

6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135410424) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID135410424
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1C
InChIInChI=1S/C30H29N5O3/c1-18-10-9-12-21(16-18)33-29(36)23-17-31-35-27(22-13-6-5-11-19(22)2)26(20(3)32-28(23)35)30(37)34-24-14-7-8-15-25(24)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyAFNKVQYEJQUONZ-UHFFFAOYSA-N
XLogP5.69
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135410424) is 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1C.
What is the InChIKey of 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is AFNKVQYEJQUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-18-10-9-12-21(16-18)33-29(36)23-17-31-35-27(22-13-6-5-11-19(22)2)26(20(3)32-28(23)35)30(37)34-24-14-7-8-15-25(24)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37).
What are the key properties of 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 507.59 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135410424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).