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

C20H17F2N3O — CID 70446821

IUPAC1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N3O/c1-13(26)24-11-10-19-18(12-24)20(14-2-4-15(21)5-3-14)23-25(19)17-8-6-16(22)7-9-17/h2-9H,10-12H2,1H3
InChIKeyKSMZCQSOXZNVOW-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.72
Rot. Bonds2

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

1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 70446821) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID70446821
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N3O/c1-13(26)24-11-10-19-18(12-24)20(14-2-4-15(21)5-3-14)23-25(19)17-8-6-16(22)7-9-17/h2-9H,10-12H2,1H3
InChIKeyKSMZCQSOXZNVOW-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 70446821) is 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is KSMZCQSOXZNVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13(26)24-11-10-19-18(12-24)20(14-2-4-15(21)5-3-14)23-25(19)17-8-6-16(22)7-9-17/h2-9H,10-12H2,1H3.
What are the key properties of 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 353.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 70446821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).