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

C30H29N5O5 — CID 135410419

IUPAC7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c(OC)c1
InChIInChI=1S/C30H29N5O5/c1-18-26(30(37)34-23-12-8-9-13-24(23)39-3)27(21-15-14-20(38-2)16-25(21)40-4)35-28(32-18)22(17-31-35)29(36)33-19-10-6-5-7-11-19/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyKGPOCHNXHLCLKH-UHFFFAOYSA-N
MW539.59 g/mol
LogP5.09
Rot. Bonds8

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

7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135410419) has the molecular formula C30H29N5O5 and a molecular weight of 539.59 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID135410419
Molecular FormulaC30H29N5O5
Molecular Weight539.59 g/mol
Exact Mass539.22
IUPAC Name7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c(OC)c1
InChIInChI=1S/C30H29N5O5/c1-18-26(30(37)34-23-12-8-9-13-24(23)39-3)27(21-15-14-20(38-2)16-25(21)40-4)35-28(32-18)22(17-31-35)29(36)33-19-10-6-5-7-11-19/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyKGPOCHNXHLCLKH-UHFFFAOYSA-N
XLogP5.09
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-Dihydroisoindol-2-yl-[2,4-dihydroxy-6-[[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]amino]phenyl]methanone
CID 155268945
7-(2,3-Dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410429
7-(4-Ethylphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410430
7-(2,5-Dimethoxyphenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410435
5-(3-Methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 135546936
7-(2,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792971
7-(2,4-dimethoxyphenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4688981
7-(4-Methoxyphenyl)-5-methyl-N3,N6-diphenyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410416
7-(2-Chlorophenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(3-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410423
N6-(2-Methoxyphenyl)-5-methyl-7-(2-methylphenyl)-N3-(3-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410424
7-(4-Ethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(3-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410425
7-(4-Chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135410436

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135410419) is 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is KGPOCHNXHLCLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O5/c1-18-26(30(37)34-23-12-8-9-13-24(23)39-3)27(21-15-14-20(38-2)16-25(21)40-4)35-28(32-18)22(17-31-35)29(36)33-19-10-6-5-7-11-19/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37).
What are the key properties of 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 539.59 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135410419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).