1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C31H34F3N5O2 — CID 10120530

IUPAC1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C31H34F3N5O2/c1-20(40)38-15-12-29-27(19-38)30(22-6-8-23(9-7-22)31(32,33)34)36-39(29)18-24(41)17-37-13-10-21(11-14-37)26-16-35-28-5-3-2-4-25(26)28/h2-9,16,21,24,35,41H,10-15,17-19H2,1H3
InChIKeyORQXDIOLDRAYDZ-UHFFFAOYSA-N
MW565.64 g/mol
LogP5.20
Rot. Bonds6

About 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10120530) has the molecular formula C31H34F3N5O2 and a molecular weight of 565.64 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10120530
Molecular FormulaC31H34F3N5O2
Molecular Weight565.64 g/mol
Exact Mass565.27
IUPAC Name1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C31H34F3N5O2/c1-20(40)38-15-12-29-27(19-38)30(22-6-8-23(9-7-22)31(32,33)34)36-39(29)18-24(41)17-37-13-10-21(11-14-37)26-16-35-28-5-3-2-4-25(26)28/h2-9,16,21,24,35,41H,10-15,17-19H2,1H3
InChIKeyORQXDIOLDRAYDZ-UHFFFAOYSA-N
XLogP5.20
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10120530) is 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)C1.
What is the InChIKey of 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ORQXDIOLDRAYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O2/c1-20(40)38-15-12-29-27(19-38)30(22-6-8-23(9-7-22)31(32,33)34)36-39(29)18-24(41)17-37-13-10-21(11-14-37)26-16-35-28-5-3-2-4-25(26)28/h2-9,16,21,24,35,41H,10-15,17-19H2,1H3.
What are the key properties of 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 565.64 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10120530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).