1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride

C24H27ClFN3 — CID 45263110

IUPAC1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CN(C2CCCC2)CC3)cc1
InChIInChI=1S/C24H26FN3.ClH/c25-20-12-10-19(11-13-20)24-22-17-27(21-8-4-5-9-21)15-14-23(22)28(26-24)16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2;1H
InChIKeyJGZDIQIMKLOPCW-UHFFFAOYSA-N
MW411.95 g/mol
LogP5.46
Rot. Bonds4

About 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride

1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45263110) has the molecular formula C24H27ClFN3 and a molecular weight of 411.95 g/mol. Its IUPAC name is 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45263110
Molecular FormulaC24H27ClFN3
Molecular Weight411.95 g/mol
Exact Mass411.19
IUPAC Name1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CN(C2CCCC2)CC3)cc1
InChIInChI=1S/C24H26FN3.ClH/c25-20-12-10-19(11-13-20)24-22-17-27(21-8-4-5-9-21)15-14-23(22)28(26-24)16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2;1H
InChIKeyJGZDIQIMKLOPCW-UHFFFAOYSA-N
XLogP5.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.95
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (CID 45263110) is 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is Cl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CN(C2CCCC2)CC3)cc1.
What is the InChIKey of 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is JGZDIQIMKLOPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3.ClH/c25-20-12-10-19(11-13-20)24-22-17-27(21-8-4-5-9-21)15-14-23(22)28(26-24)16-18-6-2-1-3-7-18;/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2;1H.
What are the key properties of 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 411.95 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-cyclopentyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45263110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).