(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C31H32N4O5 — CID 98269243

IUPAC(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C31H32N4O5/c1-5-40-25-16-12-23(13-17-25)35-29(36)27-18-26(21-10-14-24(38-3)15-11-21)33-34(27)20-31(35,2)30(37)32-19-22-8-6-7-9-28(22)39-4/h6-18H,5,19-20H2,1-4H3,(H,32,37)/t31-/m0/s1
InChIKeyCFVOOTMDDHQZRT-HKBQPEDESA-N
MW540.62 g/mol
LogP4.70
Rot. Bonds9

About (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 98269243) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID98269243
Molecular FormulaC31H32N4O5
Molecular Weight540.62 g/mol
Exact Mass540.24
IUPAC Name(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C31H32N4O5/c1-5-40-25-16-12-23(13-17-25)35-29(36)27-18-26(21-10-14-24(38-3)15-11-21)33-34(27)20-31(35,2)30(37)32-19-22-8-6-7-9-28(22)39-4/h6-18H,5,19-20H2,1-4H3,(H,32,37)/t31-/m0/s1
InChIKeyCFVOOTMDDHQZRT-HKBQPEDESA-N
XLogP4.70
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

(6S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739267
5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756671
5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522459
(6R)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739238
(6S)-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739229
(6S)-5-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269233
(6S)-5-cyclopropyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739275
(6R)-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739255
(6S)-5-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739185
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756596

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 98269243) is (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is CFVOOTMDDHQZRT-HKBQPEDESA-N. The full InChI is InChI=1S/C31H32N4O5/c1-5-40-25-16-12-23(13-17-25)35-29(36)27-18-26(21-10-14-24(38-3)15-11-21)33-34(27)20-31(35,2)30(37)32-19-22-8-6-7-9-28(22)39-4/h6-18H,5,19-20H2,1-4H3,(H,32,37)/t31-/m0/s1.
What are the key properties of (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 98269243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).