(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C21H31N5O3 — CID 92743269

IUPAC(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1
InChIInChI=1S/C21H31N5O3/c1-14-8-10-25(11-9-14)18(27)16-12-17-19(28)24(3)21(2,13-26(17)23-16)20(29)22-15-6-4-5-7-15/h12,14-15H,4-11,13H2,1-3H3,(H,22,29)/t21-/m0/s1
InChIKeyYJTZDBBSOKRKKT-NRFANRHFSA-N
MW401.51 g/mol
LogP1.66
Rot. Bonds3

About (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92743269) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92743269
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1
InChIInChI=1S/C21H31N5O3/c1-14-8-10-25(11-9-14)18(27)16-12-17-19(28)24(3)21(2,13-26(17)23-16)20(29)22-15-6-4-5-7-15/h12,14-15H,4-11,13H2,1-3H3,(H,22,29)/t21-/m0/s1
InChIKeyYJTZDBBSOKRKKT-NRFANRHFSA-N
XLogP1.66
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758579
N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46278821
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(6R)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886879
(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886878
ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
CID 20919425
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6R)-N-cyclohexyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743473
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92743269) is (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1.
What is the InChIKey of (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YJTZDBBSOKRKKT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-14-8-10-25(11-9-14)18(27)16-12-17-19(28)24(3)21(2,13-26(17)23-16)20(29)22-15-6-4-5-7-15/h12,14-15H,4-11,13H2,1-3H3,(H,22,29)/t21-/m0/s1.
What are the key properties of (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92743269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).