4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid

C49H41F8N7O5 — CID 159960766

IUPAC4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)O
InChIInChI=1S/C25H22F4N4O2.C24H19F4N3O3/c1-15-10-16(6-7-20(15)24(34)30-2)22-13-32-23-21(31-9-8-25(27,28)29)12-19(14-33(22)23)35-18-5-3-4-17(26)11-18;1-14-9-15(5-6-19(14)23(32)33)21-12-30-22-20(29-8-7-24(26,27)28)11-18(13-31(21)22)34-17-4-2-3-16(25)10-17/h3-7,10-14,31H,8-9H2,1-2H3,(H,30,34);2-6,9-13,29H,7-8H2,1H3,(H,32,33)
InChIKeyODHIPBMFECCNPZ-UHFFFAOYSA-N
MW959.89 g/mol
LogP12.27
Rot. Bonds14

About 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid

4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (PubChem CID 159960766) has the molecular formula C49H41F8N7O5 and a molecular weight of 959.89 g/mol. Its IUPAC name is 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
PubChem CID159960766
Molecular FormulaC49H41F8N7O5
Molecular Weight959.89 g/mol
Exact Mass959.30
IUPAC Name4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)O
InChIInChI=1S/C25H22F4N4O2.C24H19F4N3O3/c1-15-10-16(6-7-20(15)24(34)30-2)22-13-32-23-21(31-9-8-25(27,28)29)12-19(14-33(22)23)35-18-5-3-4-17(26)11-18;1-14-9-15(5-6-19(14)23(32)33)21-12-30-22-20(29-8-7-24(26,27)28)11-18(13-31(21)22)34-17-4-2-3-16(25)10-17/h3-7,10-14,31H,8-9H2,1-2H3,(H,30,34);2-6,9-13,29H,7-8H2,1H3,(H,32,33)
InChIKeyODHIPBMFECCNPZ-UHFFFAOYSA-N
XLogP12.27
TPSA143.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.89
LogP ≤ 512.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid with MolForge

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Related Compounds

N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
US10087188, Example 66
CID 121455590
US10087188, Example 149
CID 121455803
N-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 145712395
N-ethyl-5-[8-[[4-(2-fluorophenyl)phenyl]methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156010081
N-ethyl-5-[2-methyl-8-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156012014
N-ethyl-5-[2-methyl-8-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156013916
5-[8-[(2,4-dimethylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-ethylpyridine-2-carboxamide;hydrochloride
CID 156014550
2-ethyl-5-[8-[[4-(4-fluorophenyl)phenyl]methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 156014691
|A-Secretase modulator 11 hydrochloride
CID 156015430
N-ethyl-5-[2-methyl-8-[[4-[2-(trifluoromethyl)phenyl]phenyl]methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156015875
5-[8-[[4-(4-fluorophenyl)phenyl]methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 156016268

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The IUPAC name of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (CID 159960766) is 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The canonical SMILES for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)O.
What is the InChIKey of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The InChIKey is ODHIPBMFECCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O2.C24H19F4N3O3/c1-15-10-16(6-7-20(15)24(34)30-2)22-13-32-23-21(31-9-8-25(27,28)29)12-19(14-33(22)23)35-18-5-3-4-17(26)11-18;1-14-9-15(5-6-19(14)23(32)33)21-12-30-22-20(29-8-7-24(26,27)28)11-18(13-31(21)22)34-17-4-2-3-16(25)10-17/h3-7,10-14,31H,8-9H2,1-2H3,(H,30,34);2-6,9-13,29H,7-8H2,1H3,(H,32,33).
What are the key properties of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid has a molecular weight of 959.89 g/mol, XLogP of 12.27, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid is sourced from PubChem (CID 159960766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).