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

C28H28N4O3 — CID 95063201

IUPAC(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1C
InChIInChI=1S/C28H28N4O3/c1-19-9-4-6-11-21(19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-13-8-14-35-25)26(33)31(28)17-22-12-7-5-10-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1
InChIKeyAQXJVSONFMJEIW-MUUNZHRXSA-N
MW468.56 g/mol
LogP4.49
Rot. Bonds6

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

(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063201) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95063201
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1C
InChIInChI=1S/C28H28N4O3/c1-19-9-4-6-11-21(19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-13-8-14-35-25)26(33)31(28)17-22-12-7-5-10-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1
InChIKeyAQXJVSONFMJEIW-MUUNZHRXSA-N
XLogP4.49
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063198
(6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063175
(6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063184
(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062867
(6R)-N-benzyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739113
(6S)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063218
(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738686
(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062539
5-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049473
(6R)-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062999
N-benzyl-5-(2,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049520
6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049238

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063201) is (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1C.
What is the InChIKey of (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is AQXJVSONFMJEIW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-9-4-6-11-21(19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-13-8-14-35-25)26(33)31(28)17-22-12-7-5-10-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1.
What are the key properties of (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).