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

C26H25FN4O2 — CID 118479392

IUPAC4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H25FN4O2/c1-33-25-18(14-28)6-11-22(17-4-2-3-5-17)24(25)26(32)30-13-12-23-19(15-30)16-31(29-23)21-9-7-20(27)8-10-21/h6-11,16-17H,2-5,12-13,15H2,1H3
InChIKeyFSLVGNQRDAIAKH-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.75
Rot. Bonds4

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

4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (PubChem CID 118479392) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
PubChem CID118479392
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C26H25FN4O2/c1-33-25-18(14-28)6-11-22(17-4-2-3-5-17)24(25)26(32)30-13-12-23-19(15-30)16-31(29-23)21-9-7-20(27)8-10-21/h6-11,16-17H,2-5,12-13,15H2,1H3
InChIKeyFSLVGNQRDAIAKH-UHFFFAOYSA-N
XLogP4.75
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The IUPAC name of 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (CID 118479392) is 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is COc1c(C#N)ccc(C2CCCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The InChIKey is FSLVGNQRDAIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-33-25-18(14-28)6-11-22(17-4-2-3-5-17)24(25)26(32)30-13-12-23-19(15-30)16-31(29-23)21-9-7-20(27)8-10-21/h6-11,16-17H,2-5,12-13,15H2,1H3.
What are the key properties of 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile has a molecular weight of 444.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is sourced from PubChem (CID 118479392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).