1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H23F2N3O — CID 71532977

IUPAC1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2C(c2ccc(F)cc2)C2CC2)C1
InChIInChI=1S/C24H23F2N3O/c1-15(30)28-13-12-22-21(14-28)23(16-4-8-19(25)9-5-16)27-29(22)24(17-2-3-17)18-6-10-20(26)11-7-18/h4-11,17,24H,2-3,12-14H2,1H3
InChIKeyOIAWVLPLFMESPM-UHFFFAOYSA-N
MW407.46 g/mol
LogP4.73
Rot. Bonds4

About 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 71532977) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID71532977
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2C(c2ccc(F)cc2)C2CC2)C1
InChIInChI=1S/C24H23F2N3O/c1-15(30)28-13-12-22-21(14-28)23(16-4-8-19(25)9-5-16)27-29(22)24(17-2-3-17)18-6-10-20(26)11-7-18/h4-11,17,24H,2-3,12-14H2,1H3
InChIKeyOIAWVLPLFMESPM-UHFFFAOYSA-N
XLogP4.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 71532977) is 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2C(c2ccc(F)cc2)C2CC2)C1.
What is the InChIKey of 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OIAWVLPLFMESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O/c1-15(30)28-13-12-22-21(14-28)23(16-4-8-19(25)9-5-16)27-29(22)24(17-2-3-17)18-6-10-20(26)11-7-18/h4-11,17,24H,2-3,12-14H2,1H3.
What are the key properties of 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 407.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71532977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).