[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C24H25F3N2O2 — CID 58578322

IUPAC[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(C)Oc1ccc2c(n1)C=C(C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)C2
InChIInChI=1S/C24H25F3N2O2/c1-15(2)31-22-8-7-17-13-18(14-21(17)28-22)16-9-11-29(12-10-16)23(30)19-5-3-4-6-20(19)24(25,26)27/h3-8,14-16H,9-13H2,1-2H3
InChIKeyLXQUDNTYBLGYLK-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.38
Rot. Bonds4

About [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 58578322) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID58578322
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(C)Oc1ccc2c(n1)C=C(C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)C2
InChIInChI=1S/C24H25F3N2O2/c1-15(2)31-22-8-7-17-13-18(14-21(17)28-22)16-9-11-29(12-10-16)23(30)19-5-3-4-6-20(19)24(25,26)27/h3-8,14-16H,9-13H2,1-2H3
InChIKeyLXQUDNTYBLGYLK-UHFFFAOYSA-N
XLogP5.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Orelabrutinib
CID 91667513
Pyridine amide, 29
CID 44237004
2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 464274
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579
6-(Cyclobutylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
CID 68105435
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 71566103
US9546152, example 17
CID 74222327
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
CID 77105011
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 77105013
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 77105014
6-(4-Fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645522
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone
CID 123517068

Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 58578322) is [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CC(C)Oc1ccc2c(n1)C=C(C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)C2.
What is the InChIKey of [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LXQUDNTYBLGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-15(2)31-22-8-7-17-13-18(14-21(17)28-22)16-9-11-29(12-10-16)23(30)19-5-3-4-6-20(19)24(25,26)27/h3-8,14-16H,9-13H2,1-2H3.
What are the key properties of [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 430.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-yloxy-5H-cyclopenta[b]pyridin-6-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 58578322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).