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

C50H41F10N7O5 — CID 160861463

IUPAC4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)O
InChIInChI=1S/C26H23F5N4O2.C24H18F5N3O3/c1-3-32-25(36)18-8-7-16(11-15(18)2)21-13-34-24-20(33-10-9-26(29,30)31)12-17(14-35(21)24)37-22-6-4-5-19(27)23(22)28;1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h4-8,11-14,33H,3,9-10H2,1-2H3,(H,32,36);2-6,9-12,30H,7-8H2,1H3,(H,33,34)
InChIKeySKNVPKBNRGYSEA-UHFFFAOYSA-N
MW1009.90 g/mol
LogP12.94
Rot. Bonds15

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

4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (PubChem CID 160861463) has the molecular formula C50H41F10N7O5 and a molecular weight of 1009.90 g/mol. Its IUPAC name is 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
PubChem CID160861463
Molecular FormulaC50H41F10N7O5
Molecular Weight1009.90 g/mol
Exact Mass1009.30
IUPAC Name4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)O
InChIInChI=1S/C26H23F5N4O2.C24H18F5N3O3/c1-3-32-25(36)18-8-7-16(11-15(18)2)21-13-34-24-20(33-10-9-26(29,30)31)12-17(14-35(21)24)37-22-6-4-5-19(27)23(22)28;1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h4-8,11-14,33H,3,9-10H2,1-2H3,(H,32,36);2-6,9-12,30H,7-8H2,1H3,(H,33,34)
InChIKeySKNVPKBNRGYSEA-UHFFFAOYSA-N
XLogP12.94
TPSA143.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.90
LogP ≤ 512.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic 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

N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
US10087188, Example 172
CID 121455794
CID 44529728
CID 44529728
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
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The IUPAC name of 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid (CID 160861463) is 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The canonical SMILES for 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)O.
What is the InChIKey of 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
The InChIKey is SKNVPKBNRGYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N4O2.C24H18F5N3O3/c1-3-32-25(36)18-8-7-16(11-15(18)2)21-13-34-24-20(33-10-9-26(29,30)31)12-17(14-35(21)24)37-22-6-4-5-19(27)23(22)28;1-13-9-14(5-6-16(13)23(33)34)19-11-31-22-18(30-8-7-24(27,28)29)10-15(12-32(19)22)35-20-4-2-3-17(25)21(20)26/h4-8,11-14,33H,3,9-10H2,1-2H3,(H,32,36);2-6,9-12,30H,7-8H2,1H3,(H,33,34).
What are the key properties of 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid?
4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid has a molecular weight of 1009.90 g/mol, XLogP of 12.94, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid is sourced from PubChem (CID 160861463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).