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

C27H42N6O3 — CID 46278821

IUPACN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H42N6O3/c1-27(26(36)28-20-10-6-3-4-7-11-20)19-33-23(25(35)30(27)2)18-22(29-33)24(34)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18,20-21H,3-17,19H2,1-2H3,(H,28,36)
InChIKeyBJZNHDOCFWEDNH-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.66
Rot. Bonds4

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

N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46278821) has the molecular formula C27H42N6O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46278821
Molecular FormulaC27H42N6O3
Molecular Weight498.67 g/mol
Exact Mass498.33
IUPAC NameN-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H42N6O3/c1-27(26(36)28-20-10-6-3-4-7-11-20)19-33-23(25(35)30(27)2)18-22(29-33)24(34)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18,20-21H,3-17,19H2,1-2H3,(H,28,36)
InChIKeyBJZNHDOCFWEDNH-UHFFFAOYSA-N
XLogP2.66
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
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-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
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 N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46278821) is N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)nn2CC1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BJZNHDOCFWEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O3/c1-27(26(36)28-20-10-6-3-4-7-11-20)19-33-23(25(35)30(27)2)18-22(29-33)24(34)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18,20-21H,3-17,19H2,1-2H3,(H,28,36).
What are the key properties of N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5,6-dimethyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46278821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).