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

C26H26F2N4O2 — CID 118479377

IUPAC4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCCC(F)(CC)c1ccc(C#N)c(OC)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H26F2N4O2/c1-4-26(28,5-2)21-11-6-17(14-29)24(34-3)23(21)25(33)31-13-12-22-18(15-31)16-32(30-22)20-9-7-19(27)8-10-20/h6-11,16H,4-5,12-13,15H2,1-3H3
InChIKeyHUFLDJRJTBKQJE-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.07
Rot. Bonds6

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

4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (PubChem CID 118479377) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
PubChem CID118479377
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCCC(F)(CC)c1ccc(C#N)c(OC)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H26F2N4O2/c1-4-26(28,5-2)21-11-6-17(14-29)24(34-3)23(21)25(33)31-13-12-22-18(15-31)16-32(30-22)20-9-7-19(27)8-10-20/h6-11,16H,4-5,12-13,15H2,1-3H3
InChIKeyHUFLDJRJTBKQJE-UHFFFAOYSA-N
XLogP5.07
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile with MolForge

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Related Compounds

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1-(2-ethoxybenzoyl)-4-[1-(3-fluorophenyl)-1H-pyrazol-4-yl]piperidine
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4-[1-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(2-methoxybenzoyl)piperidine
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1-(2,3-dimethoxybenzoyl)-4-[1-(3-fluorophenyl)-1H-pyrazol-4-yl]piperidine
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US20260062387, Example 162
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US20260062387, Example 55
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US20260062387, Example 126
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US20260062387, Example 174
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US20260062387, Example 181
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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The IUPAC name of 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (CID 118479377) is 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is CCC(F)(CC)c1ccc(C#N)c(OC)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The InChIKey is HUFLDJRJTBKQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-4-26(28,5-2)21-11-6-17(14-29)24(34-3)23(21)25(33)31-13-12-22-18(15-31)16-32(30-22)20-9-7-19(27)8-10-20/h6-11,16H,4-5,12-13,15H2,1-3H3.
What are the key properties of 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile has a molecular weight of 464.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropentan-3-yl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is sourced from PubChem (CID 118479377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).