4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile

C26H24F2N4O2 — CID 118479194

IUPAC4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H24F2N4O2/c1-34-24-17(14-29)4-9-21(26(28)11-2-3-12-26)23(24)25(33)31-13-10-22-18(15-31)16-32(30-22)20-7-5-19(27)6-8-20/h4-9,16H,2-3,10-13,15H2,1H3
InChIKeyXXWGVGBRIKSLJR-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.83
Rot. Bonds4

About 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile

4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (PubChem CID 118479194) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
PubChem CID118479194
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H24F2N4O2/c1-34-24-17(14-29)4-9-21(26(28)11-2-3-12-26)23(24)25(33)31-13-10-22-18(15-31)16-32(30-22)20-7-5-19(27)6-8-20/h4-9,16H,2-3,10-13,15H2,1H3
InChIKeyXXWGVGBRIKSLJR-UHFFFAOYSA-N
XLogP4.83
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The IUPAC name of 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (CID 118479194) is 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is COc1c(C#N)ccc(C2(F)CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The InChIKey is XXWGVGBRIKSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-34-24-17(14-29)4-9-21(26(28)11-2-3-12-26)23(24)25(33)31-13-10-22-18(15-31)16-32(30-22)20-7-5-19(27)6-8-20/h4-9,16H,2-3,10-13,15H2,1H3.
What are the key properties of 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile has a molecular weight of 462.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopentyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is sourced from PubChem (CID 118479194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).