1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C27H31ClFN5O — CID 10278404

IUPAC1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CCCN2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C27H31ClFN5O/c1-20(35)33-14-11-25-23(19-33)27(21-7-9-22(28)10-8-21)30-34(25)13-4-12-31-15-17-32(18-16-31)26-6-3-2-5-24(26)29/h2-3,5-10H,4,11-19H2,1H3
InChIKeyOWLGNQPYAADVFH-UHFFFAOYSA-N
MW496.03 g/mol
LogP4.46
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10278404) has the molecular formula C27H31ClFN5O and a molecular weight of 496.03 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10278404
Molecular FormulaC27H31ClFN5O
Molecular Weight496.03 g/mol
Exact Mass495.22
IUPAC Name1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CCCN2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C27H31ClFN5O/c1-20(35)33-14-11-25-23(19-33)27(21-7-9-22(28)10-8-21)30-34(25)13-4-12-31-15-17-32(18-16-31)26-6-3-2-5-24(26)29/h2-3,5-10H,4,11-19H2,1H3
InChIKeyOWLGNQPYAADVFH-UHFFFAOYSA-N
XLogP4.46
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 42617981
2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
1-(3-(4-Chloro-phenyl)-1-{3-[4-(2-chloro-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone
CID 10230100
1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-2-hydroxy-propyl)-3-(4-chloro-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 10232786
2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063628
2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
CID 69098820
US11839663, Example 1
CID 156199314
[1-[(2-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2082853
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-7-(4-fluoro-phenyl)-2-methyl-pyrazolo[1,5-a]pyridine
CID 44372154
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;hydrochloride
CID 44591631
5-Benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
4-[3-(4-Chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 71251903

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10278404) is 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CCCN2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OWLGNQPYAADVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN5O/c1-20(35)33-14-11-25-23(19-33)27(21-7-9-22(28)10-8-21)30-34(25)13-4-12-31-15-17-32(18-16-31)26-6-3-2-5-24(26)29/h2-3,5-10H,4,11-19H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 496.03 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10278404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).