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

C26H40N6O3 — CID 92886878

IUPAC(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H40N6O3/c1-26(25(35)27-19-9-5-3-6-10-19)18-32-22(24(34)29(26)2)17-21(28-32)23(33)31-15-13-30(14-16-31)20-11-7-4-8-12-20/h17,19-20H,3-16,18H2,1-2H3,(H,27,35)/t26-/m0/s1
InChIKeyYDIDCOFKSCIFCT-SANMLTNESA-N
MW484.65 g/mol
LogP2.27
Rot. Bonds4

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

(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92886878) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92886878
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC Name(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H40N6O3/c1-26(25(35)27-19-9-5-3-6-10-19)18-32-22(24(34)29(26)2)17-21(28-32)23(33)31-15-13-30(14-16-31)20-11-7-4-8-12-20/h17,19-20H,3-16,18H2,1-2H3,(H,27,35)/t26-/m0/s1
InChIKeyYDIDCOFKSCIFCT-SANMLTNESA-N
XLogP2.27
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886879
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-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
2-(4-carbamoylpiperidine-1-carbonyl)-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758579
(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-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(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
ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
CID 20919425
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-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92886878) is (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1.
What is the InChIKey of (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YDIDCOFKSCIFCT-SANMLTNESA-N. The full InChI is InChI=1S/C26H40N6O3/c1-26(25(35)27-19-9-5-3-6-10-19)18-32-22(24(34)29(26)2)17-21(28-32)23(33)31-15-13-30(14-16-31)20-11-7-4-8-12-20/h17,19-20H,3-16,18H2,1-2H3,(H,27,35)/t26-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).