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

C26H28FN5O5 — CID 46278983

IUPAC2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cc3n(n2)CC(C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1
InChIInChI=1S/C26H28FN5O5/c1-26(25(35)29-13-16-5-8-18(27)9-6-16)15-32-21(24(34)31(26)2)12-20(30-32)23(33)28-14-17-7-10-19(36-3)11-22(17)37-4/h5-12H,13-15H2,1-4H3,(H,28,33)(H,29,35)
InChIKeyKASFSNVJNAPBHQ-UHFFFAOYSA-N
MW509.54 g/mol
LogP2.13
Rot. Bonds8

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

2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278983) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278983
Molecular FormulaC26H28FN5O5
Molecular Weight509.54 g/mol
Exact Mass509.21
IUPAC Name2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cc3n(n2)CC(C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1
InChIInChI=1S/C26H28FN5O5/c1-26(25(35)29-13-16-5-8-18(27)9-6-16)15-32-21(24(34)31(26)2)12-20(30-32)23(33)28-14-17-7-10-19(36-3)11-22(17)37-4/h5-12H,13-15H2,1-4H3,(H,28,33)(H,29,35)
InChIKeyKASFSNVJNAPBHQ-UHFFFAOYSA-N
XLogP2.13
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6S)-2-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744055
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92906062
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278898
6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278980
(6R)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744022
(6S)-2-N-[(2-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743911
(6S)-2-N-[(3-fluorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744024
(6R)-6-N-[(4-fluorophenyl)methyl]-2-N-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743928
2-N-[(3-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758753
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278849
(6S)-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744127
6-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278935

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278983) is 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is COc1ccc(CNC(=O)c2cc3n(n2)CC(C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1.
What is the InChIKey of 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is KASFSNVJNAPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-26(25(35)29-13-16-5-8-18(27)9-6-16)15-32-21(24(34)31(26)2)12-20(30-32)23(33)28-14-17-7-10-19(36-3)11-22(17)37-4/h5-12H,13-15H2,1-4H3,(H,28,33)(H,29,35).
What are the key properties of 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 509.54 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).