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

C26H34N4O3 — CID 92738963

IUPAC(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C3=O)cc1
InChIInChI=1S/C26H34N4O3/c1-26(25(32)27-19-8-4-3-5-9-19)17-29-23(24(31)30(26)20-10-6-7-11-20)16-22(28-29)18-12-14-21(33-2)15-13-18/h12-16,19-20H,3-11,17H2,1-2H3,(H,27,32)/t26-/m0/s1
InChIKeyFHPOHNMTFSDTNQ-SANMLTNESA-N
MW450.58 g/mol
LogP4.16
Rot. Bonds5

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

(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738963) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738963
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C3=O)cc1
InChIInChI=1S/C26H34N4O3/c1-26(25(32)27-19-8-4-3-5-9-19)17-29-23(24(31)30(26)20-10-6-7-11-20)16-22(28-29)18-12-14-21(33-2)15-13-18/h12-16,19-20H,3-11,17H2,1-2H3,(H,27,32)/t26-/m0/s1
InChIKeyFHPOHNMTFSDTNQ-SANMLTNESA-N
XLogP4.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-5-cyclopentyl-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522444
N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756645
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522429
(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738971
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738954
5-cyclohexyl-N-cyclooctyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522207
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738944
(3R)-N-cyclooctyl-2-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704452
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
(6S)-5-cyclopropyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739275
N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172126
2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522266

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738963) is (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C3=O)cc1.
What is the InChIKey of (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FHPOHNMTFSDTNQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(25(32)27-19-8-4-3-5-9-19)17-29-23(24(31)30(26)20-10-6-7-11-20)16-22(28-29)18-12-14-21(33-2)15-13-18/h12-16,19-20H,3-11,17H2,1-2H3,(H,27,32)/t26-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).