furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

C25H23F3N4O4 — CID 155850386

IUPACfuran-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccoc4)CC3)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22N4O2.C2HF3O2/c1-26-15-24-22-20(26)13-19(25-21(22)17-5-3-2-4-6-17)16-7-10-27(11-8-16)23(28)18-9-12-29-14-18;3-2(4,5)1(6)7/h2-6,9,12-16H,7-8,10-11H2,1H3;(H,6,7)
InChIKeyHSWPEZOCFNZSJU-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.88
Rot. Bonds3

About furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155850386) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155850386
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Namefuran-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccoc4)CC3)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22N4O2.C2HF3O2/c1-26-15-24-22-20(26)13-19(25-21(22)17-5-3-2-4-6-17)16-7-10-27(11-8-16)23(28)18-9-12-29-14-18;3-2(4,5)1(6)7/h2-6,9,12-16H,7-8,10-11H2,1H3;(H,6,7)
InChIKeyHSWPEZOCFNZSJU-UHFFFAOYSA-N
XLogP4.88
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid 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

[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911
furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841127
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155825579
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155849243
furan-3-yl-[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
CID 97415351
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415259
4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851768
[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155850430
[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155869233
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 97415324
(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694441

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 155850386) is furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is Cn1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccoc4)CC3)cc21.O=C(O)C(F)(F)F.
What is the InChIKey of furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is HSWPEZOCFNZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.C2HF3O2/c1-26-15-24-22-20(26)13-19(25-21(22)17-5-3-2-4-6-17)16-7-10-27(11-8-16)23(28)18-9-12-29-14-18;3-2(4,5)1(6)7/h2-6,9,12-16H,7-8,10-11H2,1H3;(H,6,7).
What are the key properties of furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 500.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).