(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H23FN4O4 — CID 95063224

IUPAC(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C26H23FN4O4/c1-26(25(33)28-15-17-7-5-8-18(27)13-17)16-30-21(14-19(29-30)22-11-6-12-35-22)24(32)31(26)20-9-3-4-10-23(20)34-2/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyJFZMQBOGMFDTIS-AREMUKBSSA-N
MW474.49 g/mol
LogP4.03
Rot. Bonds6

About (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063224) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95063224
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C26H23FN4O4/c1-26(25(33)28-15-17-7-5-8-18(27)13-17)16-30-21(14-19(29-30)22-11-6-12-35-22)24(32)31(26)20-9-3-4-10-23(20)34-2/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyJFZMQBOGMFDTIS-AREMUKBSSA-N
XLogP4.03
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
5-(2,3-dimethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049610
(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063214
(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
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
(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)-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
(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
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
N-benzyl-5-(2,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049520
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
(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

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063224) is (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1cccc(F)c1.
What is the InChIKey of (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is JFZMQBOGMFDTIS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-26(25(33)28-15-17-7-5-8-18(27)13-17)16-30-21(14-19(29-30)22-11-6-12-35-22)24(32)31(26)20-9-3-4-10-23(20)34-2/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1.
What are the key properties of (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).