5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H22FN5O4 — CID 118071258

IUPAC5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1OC
InChIInChI=1S/C22H22FN5O4/c1-31-17-7-6-15(11-18(17)32-2)25-22(30)27-8-9-28-16(12-27)19(21(24)29)20(26-28)13-4-3-5-14(23)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,24,29)(H,25,30)
InChIKeyYJQNZYMOQQZEHH-UHFFFAOYSA-N
MW439.45 g/mol
LogP2.85
Rot. Bonds5

About 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071258) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071258
Molecular FormulaC22H22FN5O4
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1OC
InChIInChI=1S/C22H22FN5O4/c1-31-17-7-6-15(11-18(17)32-2)25-22(30)27-8-9-28-16(12-27)19(21(24)29)20(26-28)13-4-3-5-14(23)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,24,29)(H,25,30)
InChIKeyYJQNZYMOQQZEHH-UHFFFAOYSA-N
XLogP2.85
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)acetamide
CID 16022716
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 24981924
US9598423, Example 58
CID 118061143
US9598423, Example 47
CID 118061275
US9598423, Example 73
CID 118061285
US9598423, Example 72
CID 118061876
US9598423, Example 160
CID 118061949
US9598423, Example 74
CID 118061957
US9598423, Example 78
CID 118062361
US9598423, Example 37
CID 118062371
US9598423, Example 51
CID 118062716
US9598423, Example 137
CID 118069229

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071258) is 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1OC.
What is the InChIKey of 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is YJQNZYMOQQZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-31-17-7-6-15(11-18(17)32-2)25-22(30)27-8-9-28-16(12-27)19(21(24)29)20(26-28)13-4-3-5-14(23)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,24,29)(H,25,30).
What are the key properties of 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 439.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).