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

C19H17FN6O3 — CID 118069197

IUPAC2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(=O)[nH]c1)CC2
InChIInChI=1S/C19H17FN6O3/c20-12-3-1-2-11(8-12)17-16(18(21)28)14-10-25(6-7-26(14)24-17)19(29)23-13-4-5-15(27)22-9-13/h1-5,8-9H,6-7,10H2,(H2,21,28)(H,22,27)(H,23,29)
InChIKeyXZBZELOEQDRYAN-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.52
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069197) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069197
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(=O)[nH]c1)CC2
InChIInChI=1S/C19H17FN6O3/c20-12-3-1-2-11(8-12)17-16(18(21)28)14-10-25(6-7-26(14)24-17)19(29)23-13-4-5-15(27)22-9-13/h1-5,8-9H,6-7,10H2,(H2,21,28)(H,22,27)(H,23,29)
InChIKeyXZBZELOEQDRYAN-UHFFFAOYSA-N
XLogP1.52
TPSA126.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122213879
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CID 23645921
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(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
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(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
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US9598423, Example 108
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2-(1-ethyl-4-(2-fluorophenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069197) is 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(=O)[nH]c1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is XZBZELOEQDRYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-12-3-1-2-11(8-12)17-16(18(21)28)14-10-25(6-7-26(14)24-17)19(29)23-13-4-5-15(27)22-9-13/h1-5,8-9H,6-7,10H2,(H2,21,28)(H,22,27)(H,23,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 396.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(6-oxo-1H-pyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).