N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid

C60H56F6N8O5 — CID 158138101

IUPACN-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESCCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)cc1C.CCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)O)c(C)c4)cn23)cc1C
InChIInChI=1S/C32H30F3N5O2.C28H26F3N3O3/c1-4-28(41)24-7-6-22(14-19(24)2)27-16-38-29-26(37-12-11-32(33,34)35)15-23(17-40(27)29)21-5-8-25(20(3)13-21)30(42)39-31(18-36)9-10-31;1-4-25(35)21-7-6-19(12-16(21)2)24-14-33-26-23(32-10-9-28(29,30)31)13-20(15-34(24)26)18-5-8-22(27(36)37)17(3)11-18/h5-8,13-17,37H,4,9-12H2,1-3H3,(H,39,42);5-8,11-15,32H,4,9-10H2,1-3H3,(H,36,37)
InChIKeyFTPFOIIABKTOBA-UHFFFAOYSA-N
MW1083.15 g/mol
LogP13.97
Rot. Bonds17

About N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid

N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid (PubChem CID 158138101) has the molecular formula C60H56F6N8O5 and a molecular weight of 1083.15 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
PubChem CID158138101
Molecular FormulaC60H56F6N8O5
Molecular Weight1083.15 g/mol
Exact Mass1082.43
IUPAC NameN-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
SMILESCCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)cc1C.CCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)O)c(C)c4)cn23)cc1C
InChIInChI=1S/C32H30F3N5O2.C28H26F3N3O3/c1-4-28(41)24-7-6-22(14-19(24)2)27-16-38-29-26(37-12-11-32(33,34)35)15-23(17-40(27)29)21-5-8-25(20(3)13-21)30(42)39-31(18-36)9-10-31;1-4-25(35)21-7-6-19(12-16(21)2)24-14-33-26-23(32-10-9-28(29,30)31)13-20(15-34(24)26)18-5-8-22(27(36)37)17(3)11-18/h5-8,13-17,37H,4,9-12H2,1-3H3,(H,39,42);5-8,11-15,32H,4,9-10H2,1-3H3,(H,36,37)
InChIKeyFTPFOIIABKTOBA-UHFFFAOYSA-N
XLogP13.97
TPSA182.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.15
LogP ≤ 513.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid with MolForge

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Related Compounds

US10087188, Example 26
CID 121455605
US10087188, Example 23
CID 121455635
US10087188, Example 24
CID 121455749
US10087188, Example 25
CID 121455658
US10214546, Example 88
CID 121464604
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609218
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609266
US10738057, Example 212
CID 138562077
4-((6-(3-(3-(3-(Trifluoromethyl)phenyl)ureido)phenyl)imidazo[1,2-a]pyrazin-8-ylamino)methyl)benzoic acid
CID 46878733
US9908886, Example 159
CID 145866345
4-((2-(4-(1-(4-(5-Cyanopyridin-2-yl)benzyl)-1H-1,2,3-triazol-4-yl)phenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 174155431
4-((4-(2-(2-aminopyridin-3-yl)-5-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)benzoic acid
CID 176267872

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The IUPAC name of N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid (CID 158138101) is N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid is CCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)cc1C.CCC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)O)c(C)c4)cn23)cc1C.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
The InChIKey is FTPFOIIABKTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N5O2.C28H26F3N3O3/c1-4-28(41)24-7-6-22(14-19(24)2)27-16-38-29-26(37-12-11-32(33,34)35)15-23(17-40(27)29)21-5-8-25(20(3)13-21)30(42)39-31(18-36)9-10-31;1-4-25(35)21-7-6-19(12-16(21)2)24-14-33-26-23(32-10-9-28(29,30)31)13-20(15-34(24)26)18-5-8-22(27(36)37)17(3)11-18/h5-8,13-17,37H,4,9-12H2,1-3H3,(H,39,42);5-8,11-15,32H,4,9-10H2,1-3H3,(H,36,37).
What are the key properties of N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid?
N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid has a molecular weight of 1083.15 g/mol, XLogP of 13.97, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid is sourced from PubChem (CID 158138101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).