ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C34H28F5N3O2 — CID 143073488

IUPACethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCC.Cc1c(F)cccc1-c1nc2ccn(Cc3ccc(-c4ccc(F)cc4OCc4ccc(C(F)(F)F)o4)cc3)cc-2n1
InChIInChI=1S/C32H22F5N3O2.C2H6/c1-19-24(3-2-4-26(19)34)31-38-27-13-14-40(17-28(27)39-31)16-20-5-7-21(8-6-20)25-11-9-22(33)15-29(25)41-18-23-10-12-30(42-23)32(35,36)37;1-2/h2-15,17H,16,18H2,1H3;1-2H3
InChIKeyUGGUJUVEBKSFLA-UHFFFAOYSA-N
MW605.61 g/mol
LogP9.57
Rot. Bonds7

About ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 143073488) has the molecular formula C34H28F5N3O2 and a molecular weight of 605.61 g/mol. Its IUPAC name is ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID143073488
Molecular FormulaC34H28F5N3O2
Molecular Weight605.61 g/mol
Exact Mass605.21
IUPAC Nameethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCC.Cc1c(F)cccc1-c1nc2ccn(Cc3ccc(-c4ccc(F)cc4OCc4ccc(C(F)(F)F)o4)cc3)cc-2n1
InChIInChI=1S/C32H22F5N3O2.C2H6/c1-19-24(3-2-4-26(19)34)31-38-27-13-14-40(17-28(27)39-31)16-20-5-7-21(8-6-20)25-11-9-22(33)15-29(25)41-18-23-10-12-30(42-23)32(35,36)37;1-2/h2-15,17H,16,18H2,1H3;1-2H3
InChIKeyUGGUJUVEBKSFLA-UHFFFAOYSA-N
XLogP9.57
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.61
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 2-[2-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]-5-fluorophenoxy]acetate
CID 59130472
2-(2,3-Difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130480
2-(2,3-Difluorophenyl)-5-[[4-[4-(3-pyrrol-1-ylpropoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130484
2-(2,3-Difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130494
Methyl 2-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]-3-(trifluoromethyl)phenoxy]acetate
CID 59130509
2-(2,3-Difluorophenyl)-5-[[4-[4-fluoro-2-(2-methylpropoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130512
methyl (E)-4-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]-3-(trifluoromethyl)phenoxy]but-2-enoate
CID 59130516
2-(2,3-Difluorophenyl)-5-[[4-[4-(2-pyrrol-1-ylethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130517
ethyl (E)-4-[4-[4-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]-3-(trifluoromethyl)phenoxy]but-2-enoate
CID 59130519
2-(2,3-Difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130523
2-(2,3-Difluorophenyl)-5-[[4-[4-fluoro-2-(2-pyrrol-1-ylethoxy)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130527
2-(2,3-Difluorophenyl)-5-[[4-[4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 59130532

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 143073488) is ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is CC.Cc1c(F)cccc1-c1nc2ccn(Cc3ccc(-c4ccc(F)cc4OCc4ccc(C(F)(F)F)o4)cc3)cc-2n1.
What is the InChIKey of ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is UGGUJUVEBKSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F5N3O2.C2H6/c1-19-24(3-2-4-26(19)34)31-38-27-13-14-40(17-28(27)39-31)16-20-5-7-21(8-6-20)25-11-9-22(33)15-29(25)41-18-23-10-12-30(42-23)32(35,36)37;1-2/h2-15,17H,16,18H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 605.61 g/mol, XLogP of 9.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoro-2-methylphenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 143073488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).