3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C145H167N29O7S5 — CID 161107766

IUPAC3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1.Cc1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)ccn1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccn4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4ccc(C(=O)N5CCCC5)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C5CCCCC5)c4)c3)sc2n1
InChIInChI=1S/C32H36N6O2S.C30H37N7OS.C28H34N6O2S.C28H31N5OS.C27H29N5OS/c1-21-4-10-25-28(33)29(41-31(25)36-21)30(39)35-13-12-22-5-11-27(37-18-14-34-15-19-37)26(20-22)23-6-8-24(9-7-23)32(40)38-16-2-3-17-38;1-20-7-9-24-27(31)28(39-30(24)35-20)29(38)33-12-11-21-8-10-26(36-15-13-32-14-16-36)25(17-21)22-18-34-37(19-22)23-5-3-2-4-6-23;1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2;1-18-6-8-22-25(29)26(35-28(22)32-18)27(34)31-12-10-20-7-9-24(33-14-4-3-5-15-33)23(17-20)21-11-13-30-19(2)16-21;1-18-8-10-20-24(28)25(34-27(20)31-18)26(33)30-14-12-19-9-11-23(32-15-5-2-6-16-32)21(17-19)22-7-3-4-13-29-22/h4-11,20,34H,2-3,12-19,33H2,1H3,(H,35,39);7-10,17-19,23,32H,2-6,11-16,31H2,1H3,(H,33,38);6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35);6-9,11,13,16-17H,3-5,10,12,14-15,29H2,1-2H3,(H,31,34);3-4,7-11,13,17H,2,5-6,12,14-16,28H2,1H3,(H,30,33)
InChIKeyUJHAERVXEQVGMA-UHFFFAOYSA-N
MW2588.46 g/mol
LogP24.80
Rot. Bonds35

About 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161107766) has the molecular formula C145H167N29O7S5 and a molecular weight of 2588.46 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID161107766
Molecular FormulaC145H167N29O7S5
Molecular Weight2588.46 g/mol
Exact Mass2586.22
IUPAC Name3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1.Cc1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)ccn1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccn4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4ccc(C(=O)N5CCCC5)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C5CCCCC5)c4)c3)sc2n1
InChIInChI=1S/C32H36N6O2S.C30H37N7OS.C28H34N6O2S.C28H31N5OS.C27H29N5OS/c1-21-4-10-25-28(33)29(41-31(25)36-21)30(39)35-13-12-22-5-11-27(37-18-14-34-15-19-37)26(20-22)23-6-8-24(9-7-23)32(40)38-16-2-3-17-38;1-20-7-9-24-27(31)28(39-30(24)35-20)29(38)33-12-11-21-8-10-26(36-15-13-32-14-16-36)25(17-21)22-18-34-37(19-22)23-5-3-2-4-6-23;1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2;1-18-6-8-22-25(29)26(35-28(22)32-18)27(34)31-12-10-20-7-9-24(33-14-4-3-5-15-33)23(17-20)21-11-13-30-19(2)16-21;1-18-8-10-20-24(28)25(34-27(20)31-18)26(33)30-14-12-19-9-11-23(32-15-5-2-6-16-32)21(17-19)22-7-3-4-13-29-22/h4-11,20,34H,2-3,12-19,33H2,1H3,(H,35,39);7-10,17-19,23,32H,2-6,11-16,31H2,1H3,(H,33,38);6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35);6-9,11,13,16-17H,3-5,10,12,14-15,29H2,1-2H3,(H,31,34);3-4,7-11,13,17H,2,5-6,12,14-16,28H2,1H3,(H,30,33)
InChIKeyUJHAERVXEQVGMA-UHFFFAOYSA-N
XLogP24.80
TPSA471.27 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002588.46
LogP ≤ 524.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 147340937
3-amino-6-methyl-N-[2-[3-[1-(oxan-4-yl)pyrazol-4-yl]-4-piperazin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311088
5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 157559132
3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 158905619
4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160640351
N-cyclobutyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;4,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethyl-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide;N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 161705371
5-amino-1-[[5-amino-3-methyl-6-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)thieno[2,3-c]pyridazin-4-yl]methyl]-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 123159332
5-amino-N-[[5-[[2-[3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidin-1-yl]phenyl]methyl]-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 126496329
N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-7-[3-[3-[[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]carbamoyl]pyrazol-1-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 145536834
5-amino-1-[[5-amino-3-methyl-6-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]thieno[2,3-c]pyridazin-4-yl]methyl]-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 145628281
bis(5-amino-3,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-phenylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-phenylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-methylbenzamide;5-amino-N-[1-(3-ethylphenyl)sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 157202641
2-fluoro-N-[[7-(2-methoxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-6-methylbenzamide;3-fluoro-N-[[7-(3-methoxypropyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-5-methylpyridine-4-carboxamide;methane;N-[[7-(2-methoxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2-methylbenzamide;N-[[7-(2-methoxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-3-methylpyridine-4-carboxamide;N-[[7-(2-methoxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-pyridin-4-ylmethyl]-2-methylsulfanylpyridine-3-carboxamide;N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-3-carboxamide;3-methyl-N-[[7-(2-methylpropyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
CID 157285345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 161107766) is 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is COCCn1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cn1.Cc1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)ccn1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccn4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4ccc(C(=O)N5CCCC5)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C5CCCCC5)c4)c3)sc2n1.
What is the InChIKey of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UJHAERVXEQVGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2S.C30H37N7OS.C28H34N6O2S.C28H31N5OS.C27H29N5OS/c1-21-4-10-25-28(33)29(41-31(25)36-21)30(39)35-13-12-22-5-11-27(37-18-14-34-15-19-37)26(20-22)23-6-8-24(9-7-23)32(40)38-16-2-3-17-38;1-20-7-9-24-27(31)28(39-30(24)35-20)29(38)33-12-11-21-8-10-26(36-15-13-32-14-16-36)25(17-21)22-18-34-37(19-22)23-5-3-2-4-6-23;1-19-6-8-22-25(29)26(37-28(22)32-19)27(35)30-11-10-20-7-9-24(33-12-4-3-5-13-33)23(16-20)21-17-31-34(18-21)14-15-36-2;1-18-6-8-22-25(29)26(35-28(22)32-18)27(34)31-12-10-20-7-9-24(33-14-4-3-5-15-33)23(17-20)21-11-13-30-19(2)16-21;1-18-8-10-20-24(28)25(34-27(20)31-18)26(33)30-14-12-19-9-11-23(32-15-5-2-6-16-32)21(17-19)22-7-3-4-13-29-22/h4-11,20,34H,2-3,12-19,33H2,1H3,(H,35,39);7-10,17-19,23,32H,2-6,11-16,31H2,1H3,(H,33,38);6-9,16-18H,3-5,10-15,29H2,1-2H3,(H,30,35);6-9,11,13,16-17H,3-5,10,12,14-15,29H2,1-2H3,(H,31,34);3-4,7-11,13,17H,2,5-6,12,14-16,28H2,1H3,(H,30,33).
What are the key properties of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2588.46 g/mol, XLogP of 24.80, 35 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161107766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).