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

C30H29N5O3 — CID 135410420

IUPAC6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1
InChIInChI=1S/C30H29N5O3/c1-18-13-14-25(19(2)15-18)34-30(37)26-20(3)32-28-24(29(36)33-22-10-6-5-7-11-22)17-31-35(28)27(26)21-9-8-12-23(16-21)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyNMXIDADMOIZKKP-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.69
Rot. Bonds6

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

6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135410420) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID135410420
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1
InChIInChI=1S/C30H29N5O3/c1-18-13-14-25(19(2)15-18)34-30(37)26-20(3)32-28-24(29(36)33-22-10-6-5-7-11-22)17-31-35(28)27(26)21-9-8-12-23(16-21)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)
InChIKeyNMXIDADMOIZKKP-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

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983748
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869431
3-[2-(4-aminophenyl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 78319067
7-(2-(Methylamino)phenyl)-2-(4-phenoxy phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928070
2-(4-Phenoxyphenyl)-7-[4-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983691
7-(2-(N-methylacrylamido)phenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983730
7-(2-Aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983757
3-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594083
3-[1-(3-methoxyphenyl)-3-(methylamino)propyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594124

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135410420) is 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is NMXIDADMOIZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-18-13-14-25(19(2)15-18)34-30(37)26-20(3)32-28-24(29(36)33-22-10-6-5-7-11-22)17-31-35(28)27(26)21-9-8-12-23(16-21)38-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37).
What are the key properties of 6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
6-N-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-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-(2,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135410420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).