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

C29H34N4O3 — CID 92738971

IUPAC(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N([C@H](C)c2ccccc2)C3=O)cc1
InChIInChI=1S/C29H34N4O3/c1-20(21-10-6-4-7-11-21)33-27(34)26-18-25(22-14-16-24(36-3)17-15-22)31-32(26)19-29(33,2)28(35)30-23-12-8-5-9-13-23/h4,6-7,10-11,14-18,20,23H,5,8-9,12-13,19H2,1-3H3,(H,30,35)/t20-,29+/m1/s1
InChIKeyFVNFHDDXGGKACO-OLILMLBXSA-N
MW486.62 g/mol
LogP4.98
Rot. Bonds6

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

(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738971) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738971
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N([C@H](C)c2ccccc2)C3=O)cc1
InChIInChI=1S/C29H34N4O3/c1-20(21-10-6-4-7-11-21)33-27(34)26-18-25(22-14-16-24(36-3)17-15-22)31-32(26)19-29(33,2)28(35)30-23-12-8-5-9-13-23/h4,6-7,10-11,14-18,20,23H,5,8-9,12-13,19H2,1-3H3,(H,30,35)/t20-,29+/m1/s1
InChIKeyFVNFHDDXGGKACO-OLILMLBXSA-N
XLogP4.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738963
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738954
(3S)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739575
N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522370
N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756645
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738944
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522429
N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522394
(6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92704003
N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172126
(3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739623
(3S)-N-cyclohexyl-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704098

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738971) is (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N([C@H](C)c2ccccc2)C3=O)cc1.
What is the InChIKey of (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FVNFHDDXGGKACO-OLILMLBXSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-20(21-10-6-4-7-11-21)33-27(34)26-18-25(22-14-16-24(36-3)17-15-22)31-32(26)19-29(33,2)28(35)30-23-12-8-5-9-13-23/h4,6-7,10-11,14-18,20,23H,5,8-9,12-13,19H2,1-3H3,(H,30,35)/t20-,29+/m1/s1.
What are the key properties of (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).