2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C29H30N4O4 — CID 53049424

IUPAC2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C29H30N4O4/c1-19(2)21-9-11-22(12-10-21)33-27(34)25-16-24(26-6-5-15-37-26)31-32(25)18-29(33,3)28(35)30-17-20-7-13-23(36-4)14-8-20/h5-16,19H,17-18H2,1-4H3,(H,30,35)
InChIKeyFZZVZKZFHVOLPP-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.01
Rot. Bonds7

About 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049424) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53049424
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C29H30N4O4/c1-19(2)21-9-11-22(12-10-21)33-27(34)25-16-24(26-6-5-15-37-26)31-32(25)18-29(33,3)28(35)30-17-20-7-13-23(36-4)14-8-20/h5-16,19H,17-18H2,1-4H3,(H,30,35)
InChIKeyFZZVZKZFHVOLPP-UHFFFAOYSA-N
XLogP5.01
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063015
5-(4-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049415
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062972
(6R)-2-(furan-2-yl)-5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062828
5-(3,5-dimethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049422
5-(3-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049425
2-(furan-2-yl)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049574
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062943
(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062881
(6S)-5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062958
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6S)-5-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062978

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049424) is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FZZVZKZFHVOLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-19(2)21-9-11-22(12-10-21)33-27(34)25-16-24(26-6-5-15-37-26)31-32(25)18-29(33,3)28(35)30-17-20-7-13-23(36-4)14-8-20/h5-16,19H,17-18H2,1-4H3,(H,30,35).
What are the key properties of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).