6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H37N5O3 — CID 50758478

IUPAC6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC1CCC(NC(=O)c2cc3n(n2)CC(C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1
InChIInChI=1S/C24H37N5O3/c1-16-10-12-18(13-11-16)25-21(30)19-14-20-22(31)28(3)24(2,15-29(20)27-19)23(32)26-17-8-6-4-5-7-9-17/h14,16-18H,4-13,15H2,1-3H3,(H,25,30)(H,26,32)
InChIKeyNOGRWKDRFJSYEJ-UHFFFAOYSA-N
MW443.59 g/mol
LogP2.87
Rot. Bonds4

About 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758478) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758478
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC1CCC(NC(=O)c2cc3n(n2)CC(C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1
InChIInChI=1S/C24H37N5O3/c1-16-10-12-18(13-11-16)25-21(30)19-14-20-22(31)28(3)24(2,15-29(20)27-19)23(32)26-17-8-6-4-5-7-9-17/h14,16-18H,4-13,15H2,1-3H3,(H,25,30)(H,26,32)
InChIKeyNOGRWKDRFJSYEJ-UHFFFAOYSA-N
XLogP2.87
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743501
(6S)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886878

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758478) is 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC1CCC(NC(=O)c2cc3n(n2)CC(C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1.
What is the InChIKey of 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is NOGRWKDRFJSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-16-10-12-18(13-11-16)25-21(30)19-14-20-22(31)28(3)24(2,15-29(20)27-19)23(32)26-17-8-6-4-5-7-9-17/h14,16-18H,4-13,15H2,1-3H3,(H,25,30)(H,26,32).
What are the key properties of 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 443.59 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).