[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

C25H26F2N4O2 — CID 78101504

IUPAC[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C25H26F2N4O2/c1-17(18-2-6-20(26)7-3-18)31-23-10-11-30(25(32)29-12-14-33-15-13-29)16-22(23)24(28-31)19-4-8-21(27)9-5-19/h2-9,17H,10-16H2,1H3
InChIKeyLGGYNYOUXDCXCT-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.25
Rot. Bonds3

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

[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 78101504) has the molecular formula C25H26F2N4O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID78101504
Molecular FormulaC25H26F2N4O2
Molecular Weight452.51 g/mol
Exact Mass452.20
IUPAC Name[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C25H26F2N4O2/c1-17(18-2-6-20(26)7-3-18)31-23-10-11-30(25(32)29-12-14-33-15-13-29)16-22(23)24(28-31)19-4-8-21(27)9-5-19/h2-9,17H,10-16H2,1H3
InChIKeyLGGYNYOUXDCXCT-UHFFFAOYSA-N
XLogP4.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Cyano-phenyl)-1-(2,4-difluoro-benzyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid methylamide
CID 71532759
1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532977
1-[1-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532979
1-[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532980
1-[3-(4-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532981
1-[3-(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533025
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533187
1-[1-(2,4-Difluoro-benzyl)-3-(4-fluoro-phenyl)-6-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71533616
[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 89449911
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533126
1-[1-[(2,4-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533127
1-[5-[(2,4-Difluorophenyl)methyl]-3-(4-fluorophenyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-11-yl]ethanone
CID 71533249

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (CID 78101504) is [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is CC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CCOCC1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is LGGYNYOUXDCXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2/c1-17(18-2-6-20(26)7-3-18)31-23-10-11-30(25(32)29-12-14-33-15-13-29)16-22(23)24(28-31)19-4-8-21(27)9-5-19/h2-9,17H,10-16H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 452.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78101504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).