1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H22F3N3O2 — CID 78094407

IUPAC1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOC1Cc2c(F)cc(F)cc2C1n1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C24H22F3N3O2/c1-13(31)29-8-7-21-19(12-29)23(14-3-5-15(25)6-4-14)28-30(21)24-18-9-16(26)10-20(27)17(18)11-22(24)32-2/h3-6,9-10,22,24H,7-8,11-12H2,1-2H3
InChIKeyCPVGIKSOFISXNQ-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.03
Rot. Bonds3

About 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 78094407) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID78094407
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOC1Cc2c(F)cc(F)cc2C1n1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C24H22F3N3O2/c1-13(31)29-8-7-21-19(12-29)23(14-3-5-15(25)6-4-14)28-30(21)24-18-9-16(26)10-20(27)17(18)11-22(24)32-2/h3-6,9-10,22,24H,7-8,11-12H2,1-2H3
InChIKeyCPVGIKSOFISXNQ-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[5-acetyl-1-[(1R,2R)-4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 71515783
1-[1-(4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 78094410
1-[1-[(1R,2R)-6-chloro-4-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515846
1-[1-[[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552475
3-[5-acetyl-1-[(1R,2S)-4-bromo-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89444669
3-[5-acetyl-1-(4-chloro-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 78094330
3-[1-[(1R,2S)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89444450
1-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 144552461
1-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 76850843
1-[1-[(2,4-difluorophenyl)methyl]-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 141360490
3-[5-acetyl-1-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 89443985
1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3,6,7-tetrahydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 147189078

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 78094407) is 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COC1Cc2c(F)cc(F)cc2C1n1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is CPVGIKSOFISXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-13(31)29-8-7-21-19(12-29)23(14-3-5-15(25)6-4-14)28-30(21)24-18-9-16(26)10-20(27)17(18)11-22(24)32-2/h3-6,9-10,22,24H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 441.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-difluoro-2-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 78094407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).