(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H32N4O4 — CID 136915831

IUPAC(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(CC)cc2)=C[C@H]3c2cccc(OC)c2OC)cc1
InChIInChI=1S/C31H32N4O4/c1-5-20-10-12-21(13-11-20)26-18-27(24-8-7-9-28(37-3)29(24)38-4)35-30(34-26)25(19-32-35)31(36)33-22-14-16-23(17-15-22)39-6-2/h7-19,27,34H,5-6H2,1-4H3,(H,33,36)/t27-/m0/s1
InChIKeyONMDCSITLVFWFK-MHZLTWQESA-N
MW524.62 g/mol
LogP6.17
Rot. Bonds9

About (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136915831) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136915831
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Name(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(CC)cc2)=C[C@H]3c2cccc(OC)c2OC)cc1
InChIInChI=1S/C31H32N4O4/c1-5-20-10-12-21(13-11-20)26-18-27(24-8-7-9-28(37-3)29(24)38-4)35-30(34-26)25(19-32-35)31(36)33-22-14-16-23(17-15-22)39-6-2/h7-19,27,34H,5-6H2,1-4H3,(H,33,36)/t27-/m0/s1
InChIKeyONMDCSITLVFWFK-MHZLTWQESA-N
XLogP6.17
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791592
(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791566
N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548746
5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548709
(7S)-N-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136836328
(7S)-5-(4-bromophenyl)-N-(4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791580
(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680211
(7S)-N-(4-chlorophenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791571
(7R)-5-(4-chlorophenyl)-N-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680197
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551174
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

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136915831) is (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(CC)cc2)=C[C@H]3c2cccc(OC)c2OC)cc1.
What is the InChIKey of (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONMDCSITLVFWFK-MHZLTWQESA-N. The full InChI is InChI=1S/C31H32N4O4/c1-5-20-10-12-21(13-11-20)26-18-27(24-8-7-9-28(37-3)29(24)38-4)35-30(34-26)25(19-32-35)31(36)33-22-14-16-23(17-15-22)39-6-2/h7-19,27,34H,5-6H2,1-4H3,(H,33,36)/t27-/m0/s1.
What are the key properties of (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 6.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136915831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).