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

C20H19FN6O2 — CID 118062694

IUPAC2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cn1
InChIInChI=1S/C20H19FN6O2/c1-12-5-6-15(10-23-12)24-20(29)26-7-8-27-16(11-26)17(19(22)28)18(25-27)13-3-2-4-14(21)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,22,28)(H,24,29)
InChIKeyBLPHKTVCORZCQI-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.54
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062694) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062694
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cn1
InChIInChI=1S/C20H19FN6O2/c1-12-5-6-15(10-23-12)24-20(29)26-7-8-27-16(11-26)17(19(22)28)18(25-27)13-3-2-4-14(21)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,22,28)(H,24,29)
InChIKeyBLPHKTVCORZCQI-UHFFFAOYSA-N
XLogP2.54
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062694) is 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1ccc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cn1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BLPHKTVCORZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-12-5-6-15(10-23-12)24-20(29)26-7-8-27-16(11-26)17(19(22)28)18(25-27)13-3-2-4-14(21)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,22,28)(H,24,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).