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

C30H29N5O4 — CID 136865086

IUPAC(7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(C)cc3)cnn2[C@@H]1c1ccccc1OC
InChIInChI=1S/C30H29N5O4/c1-18-13-15-20(16-14-18)33-29(36)22-17-31-35-27(21-9-5-7-11-24(21)38-3)26(19(2)32-28(22)35)30(37)34-23-10-6-8-12-25(23)39-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)/t27-/m1/s1
InChIKeyVYPBUYPUGZUAEO-HHHXNRCGSA-N
MW523.59 g/mol
LogP5.39
Rot. Bonds7

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

(7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 136865086) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name(7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID136865086
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC Name(7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(C)cc3)cnn2[C@@H]1c1ccccc1OC
InChIInChI=1S/C30H29N5O4/c1-18-13-15-20(16-14-18)33-29(36)22-17-31-35-27(21-9-5-7-11-24(21)38-3)26(19(2)32-28(22)35)30(37)34-23-10-6-8-12-25(23)39-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)/t27-/m1/s1
InChIKeyVYPBUYPUGZUAEO-HHHXNRCGSA-N
XLogP5.39
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.39
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
(7S)-7-(2,3-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136680147
(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
(7S)-7-(2,3-dimethoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674504
(7S)-3-N-(4-fluorophenyl)-7-(2-methoxyphenyl)-5-methyl-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674528
7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135889951
7-(2,3-dimethoxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135889984
(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
6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551078
(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,7-bis(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674482
(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

Frequently Asked Questions

What is the IUPAC name of (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 136865086) is (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(C)cc3)cnn2[C@@H]1c1ccccc1OC.
What is the InChIKey of (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is VYPBUYPUGZUAEO-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H29N5O4/c1-18-13-15-20(16-14-18)33-29(36)22-17-31-35-27(21-9-5-7-11-24(21)38-3)26(19(2)32-28(22)35)30(37)34-23-10-6-8-12-25(23)39-4/h5-17,27,32H,1-4H3,(H,33,36)(H,34,37)/t27-/m1/s1.
What are the key properties of (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
(7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 523.59 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-N,7-bis(2-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 136865086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).