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

C21H30N6O4 — CID 50758579

IUPAC2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C21H30N6O4/c1-21(20(31)23-14-5-3-4-6-14)12-27-16(19(30)25(21)2)11-15(24-27)18(29)26-9-7-13(8-10-26)17(22)28/h11,13-14H,3-10,12H2,1-2H3,(H2,22,28)(H,23,31)
InChIKeySLFQTUQPYIUUMD-UHFFFAOYSA-N
MW430.51 g/mol
LogP0.12
Rot. Bonds4

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

2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50758579) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50758579
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Name2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C21H30N6O4/c1-21(20(31)23-14-5-3-4-6-14)12-27-16(19(30)25(21)2)11-15(24-27)18(29)26-9-7-13(8-10-26)17(22)28/h11,13-14H,3-10,12H2,1-2H3,(H2,22,28)(H,23,31)
InChIKeySLFQTUQPYIUUMD-UHFFFAOYSA-N
XLogP0.12
TPSA130.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
CID 20919425
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)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886878
(6R)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886879
(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
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
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 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50758579) is 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SLFQTUQPYIUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-21(20(31)23-14-5-3-4-6-14)12-27-16(19(30)25(21)2)11-15(24-27)18(29)26-9-7-13(8-10-26)17(22)28/h11,13-14H,3-10,12H2,1-2H3,(H2,22,28)(H,23,31).
What are the key properties of 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50758579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).