2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H24FN5O5 — CID 50758687

IUPAC2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O5/c1-25(24(34)28-11-15-3-6-17(26)7-4-15)13-31-19(23(33)30(25)2)10-18(29-31)22(32)27-12-16-5-8-20-21(9-16)36-14-35-20/h3-10H,11-14H2,1-2H3,(H,27,32)(H,28,34)
InChIKeyQUPSIAFTOVZECP-UHFFFAOYSA-N
MW493.50 g/mol
LogP1.84
Rot. Bonds6

About 2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758687) has the molecular formula C25H24FN5O5 and a molecular weight of 493.50 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758687
Molecular FormulaC25H24FN5O5
Molecular Weight493.50 g/mol
Exact Mass493.18
IUPAC Name2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O5/c1-25(24(34)28-11-15-3-6-17(26)7-4-15)13-31-19(23(33)30(25)2)10-18(29-31)22(32)27-12-16-5-8-20-21(9-16)36-14-35-20/h3-10H,11-14H2,1-2H3,(H,27,32)(H,28,34)
InChIKeyQUPSIAFTOVZECP-UHFFFAOYSA-N
XLogP1.84
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1,3-benzodioxol-5-ylmethyl)-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

CID 16022664
CID 16022664
CID 2811299
CID 2811299
CID 3780243
CID 3780243
CID 6499837
CID 6499837
CID 146597651
CID 146597651
CID 146641781
CID 146641781
CID 155552895
CID 155552895
CID 3245062
CID 3245062
CID 16022696
CID 16022696
CID 16022876
CID 16022876
CID 16024094
CID 16024094
CID 16028424
CID 16028424

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758687) is 2-N-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is QUPSIAFTOVZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5/c1-25(24(34)28-11-15-3-6-17(26)7-4-15)13-31-19(23(33)30(25)2)10-18(29-31)22(32)27-12-16-5-8-20-21(9-16)36-14-35-20/h3-10H,11-14H2,1-2H3,(H,27,32)(H,28,34).
What are the key properties of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 493.50 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).