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

C51H47F6N7O5 — CID 159642157

IUPAC4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4OC)cn23)cc1C.COc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)O)c(C)c3)n2c1
InChIInChI=1S/C26H25F3N4O2.C25H22F3N3O3/c1-16-12-17(8-9-19(16)25(34)30-2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)35-3;1-15-11-16(7-8-18(15)24(32)33)21-13-30-23-20(29-10-9-25(26,27)28)12-17(14-31(21)23)19-5-3-4-6-22(19)34-2/h4-9,12-15,31H,10-11H2,1-3H3,(H,30,34);3-8,11-14,29H,9-10H2,1-2H3,(H,32,33)
InChIKeyMQMMWGTUJARLBL-UHFFFAOYSA-N
MW951.97 g/mol
LogP11.76
Rot. Bonds14

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

4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (PubChem CID 159642157) has the molecular formula C51H47F6N7O5 and a molecular weight of 951.97 g/mol. Its IUPAC name is 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
PubChem CID159642157
Molecular FormulaC51H47F6N7O5
Molecular Weight951.97 g/mol
Exact Mass951.35
IUPAC Name4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccccc4OC)cn23)cc1C.COc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)O)c(C)c3)n2c1
InChIInChI=1S/C26H25F3N4O2.C25H22F3N3O3/c1-16-12-17(8-9-19(16)25(34)30-2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)35-3;1-15-11-16(7-8-18(15)24(32)33)21-13-30-23-20(29-10-9-25(26,27)28)12-17(14-31(21)23)19-5-3-4-6-22(19)34-2/h4-9,12-15,31H,10-11H2,1-3H3,(H,30,34);3-8,11-14,29H,9-10H2,1-2H3,(H,32,33)
InChIKeyMQMMWGTUJARLBL-UHFFFAOYSA-N
XLogP11.76
TPSA143.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.97
LogP ≤ 511.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethoxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76903329
US10087188, Example 172
CID 121455794
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
4-[2-[3-(diethylaminomethyl)-2-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 44528326
N-cyclopropyl-4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 66554609
4-(8-amino-3-((6R,8aS)-1,1-dimethyl-3-oxohexahydro-1H-oxazolo[3,4-a]pyridin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107254
US10087188, Example 100
CID 121454976
US10087188, Example 22
CID 121455510
US10087188, Example 135
CID 121455520
US10087188, Example 67
CID 121455525
US10087188, Example 108
CID 121455546

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The IUPAC name of 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (CID 159642157) is 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The canonical SMILES for 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-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(-c4ccccc4OC)cn23)cc1C.COc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)O)c(C)c3)n2c1.
What is the InChIKey of 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The InChIKey is MQMMWGTUJARLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2.C25H22F3N3O3/c1-16-12-17(8-9-19(16)25(34)30-2)22-14-32-24-21(31-11-10-26(27,28)29)13-18(15-33(22)24)20-6-4-5-7-23(20)35-3;1-15-11-16(7-8-18(15)24(32)33)21-13-30-23-20(29-10-9-25(26,27)28)12-17(14-31(21)23)19-5-3-4-6-22(19)34-2/h4-9,12-15,31H,10-11H2,1-3H3,(H,30,34);3-8,11-14,29H,9-10H2,1-2H3,(H,32,33).
What are the key properties of 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid has a molecular weight of 951.97 g/mol, XLogP of 11.76, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid is sourced from PubChem (CID 159642157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).