4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

C64H66N8O5 — CID 159729225

IUPAC4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCC1(N2CCOCC2)CCC(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.CC1(N2CCOCC2)CCCCC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)O)cc4)cn23)cc1
InChIInChI=1S/C32H32N4O2.C21H13N3O2.C11H21NO/c1-32(35-16-18-38-19-17-35)14-12-27(13-15-32)31(37)26-8-6-24(7-9-26)28-10-11-30-34-21-29(36(30)22-28)25-4-2-23(20-33)3-5-25;22-11-14-1-3-16(4-2-14)19-12-23-20-10-9-18(13-24(19)20)15-5-7-17(8-6-15)21(25)26;1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h2-11,21-22,27H,12-19H2,1H3;1-10,12-13H,(H,25,26);2-10H2,1H3
InChIKeyNBAISOSWHDLSRV-UHFFFAOYSA-N
MW1027.28 g/mol
LogP12.28
Rot. Bonds9

About 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 159729225) has the molecular formula C64H66N8O5 and a molecular weight of 1027.28 g/mol. Its IUPAC name is 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID159729225
Molecular FormulaC64H66N8O5
Molecular Weight1027.28 g/mol
Exact Mass1026.52
IUPAC Name4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCC1(N2CCOCC2)CCC(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.CC1(N2CCOCC2)CCCCC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)O)cc4)cn23)cc1
InChIInChI=1S/C32H32N4O2.C21H13N3O2.C11H21NO/c1-32(35-16-18-38-19-17-35)14-12-27(13-15-32)31(37)26-8-6-24(7-9-26)28-10-11-30-34-21-29(36(30)22-28)25-4-2-23(20-33)3-5-25;22-11-14-1-3-16(4-2-14)19-12-23-20-10-9-18(13-24(19)20)15-5-7-17(8-6-15)21(25)26;1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h2-11,21-22,27H,12-19H2,1H3;1-10,12-13H,(H,25,26);2-10H2,1H3
InChIKeyNBAISOSWHDLSRV-UHFFFAOYSA-N
XLogP12.28
TPSA161.49 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.28
LogP ≤ 512.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile with MolForge

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Related Compounds

4-[8-Morpholin-4-yl-2-(3-quinolin-2-ylcyclobutyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 86345727
4-(8-Morpholino-2-(2-(quinolin-2-yl)ethyl)imidazo[1,2-a]pyrazin-5-yl)benzoic acid
CID 86345901
4-[8-Morpholin-4-yl-2-(2-pyridin-2-ylethynyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 123133234
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-((2-(4-(2-((4-(5-((lambda2-Azaneylidene)-lambda3-methyl)pyridin-2-yl)phenyl)methoxy)ethyl)phenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 175664951
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
3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)
CID 167556578
2-[[4-[1-[(4-cyano-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 176905564
(E)-4-((2-(4-((((4-(5-Cyanopyridin-2-yl)benzylidene)amino)oxy)methyl)phenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 164601186
4-((2-(4-(1-(4-(5-Cyanopyridin-2-yl)benzyl)-1H-1,2,3-triazol-4-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 174155429
(Z)-4-((2-(4-((((4-(5-Cyanopyridin-2-yl)benzylidene)amino)oxy)methyl)phenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 175664945
4-((6-(1-(4-(5-Cyanopyridin-2-yl)benzyl)-1H-1,2,3-triazol-4-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 175664949

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 159729225) is 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is CC1(N2CCOCC2)CCC(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.CC1(N2CCOCC2)CCCCC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)O)cc4)cn23)cc1.
What is the InChIKey of 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is NBAISOSWHDLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2.C21H13N3O2.C11H21NO/c1-32(35-16-18-38-19-17-35)14-12-27(13-15-32)31(37)26-8-6-24(7-9-26)28-10-11-30-34-21-29(36(30)22-28)25-4-2-23(20-33)3-5-25;22-11-14-1-3-16(4-2-14)19-12-23-20-10-9-18(13-24(19)20)15-5-7-17(8-6-15)21(25)26;1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h2-11,21-22,27H,12-19H2,1H3;1-10,12-13H,(H,25,26);2-10H2,1H3.
What are the key properties of 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 1027.28 g/mol, XLogP of 12.28, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 159729225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).