(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H30N4O3 — CID 92738522

IUPAC(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C26H30N4O3/c1-17-11-12-21(18(2)14-17)30-24(31)22-15-20(23-10-7-13-33-23)28-29(22)16-26(30,3)25(32)27-19-8-5-4-6-9-19/h7,10-15,19H,4-6,8-9,16H2,1-3H3,(H,27,32)/t26-/m1/s1
InChIKeyBFPHVYBNEFBDDZ-AREMUKBSSA-N
MW446.55 g/mol
LogP4.63
Rot. Bonds4

About (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738522) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738522
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C26H30N4O3/c1-17-11-12-21(18(2)14-17)30-24(31)22-15-20(23-10-7-13-33-23)28-29(22)16-26(30,3)25(32)27-19-8-5-4-6-9-19/h7,10-15,19H,4-6,8-9,16H2,1-3H3,(H,27,32)/t26-/m1/s1
InChIKeyBFPHVYBNEFBDDZ-AREMUKBSSA-N
XLogP4.63
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063068
N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522198
(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738162
5-cyclohexyl-N-cyclooctyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522207
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658
N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565
(6R)-N-cyclohexyl-2-(furan-2-yl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738530
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744630
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
ethyl (6S)-6-(cyclohexylcarbamoyl)-5-(2,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744965
(6S)-5-[2-(4-chlorophenyl)ethyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738655

Frequently Asked Questions

What is the IUPAC name of (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738522) is (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BFPHVYBNEFBDDZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17-11-12-21(18(2)14-17)30-24(31)22-15-20(23-10-7-13-33-23)28-29(22)16-26(30,3)25(32)27-19-8-5-4-6-9-19/h7,10-15,19H,4-6,8-9,16H2,1-3H3,(H,27,32)/t26-/m1/s1.
What are the key properties of (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).