N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C119H125F3N20O14S4 — CID 160581143

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)c1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)cc(OC)c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1
InChIInChI=1S/C31H35N5O3S.C30H33N5O4S.C29H28F3N5O3S.C29H29N5O4S/c1-22(2)39-26-8-4-6-24(20-26)21-33-30(37)29-10-9-28(40-29)27-11-13-32-31(35-27)34-25-7-3-5-23(19-25)12-14-36-15-17-38-18-16-36;1-37-24-17-22(18-25(19-24)38-2)20-32-29(36)28-7-6-27(40-28)26-8-10-31-30(34-26)33-23-5-3-4-21(16-23)9-11-35-12-14-39-15-13-35;30-29(31,32)40-23-6-2-4-21(18-23)19-34-27(38)26-8-7-25(41-26)24-9-11-33-28(36-24)35-22-5-1-3-20(17-22)10-12-37-13-15-39-16-14-37;35-28(31-18-21-4-5-24-25(17-21)38-19-37-24)27-7-6-26(39-27)23-8-10-30-29(33-23)32-22-3-1-2-20(16-22)9-11-34-12-14-36-15-13-34/h3-11,13,19-20,22H,12,14-18,21H2,1-2H3,(H,33,37)(H,32,34,35);3-8,10,16-19H,9,11-15,20H2,1-2H3,(H,32,36)(H,31,33,34);1-9,11,17-18H,10,12-16,19H2,(H,34,38)(H,33,35,36);1-8,10,16-17H,9,11-15,18-19H2,(H,31,35)(H,30,32,33)
InChIKeyRBUJLWJBUHEBRZ-UHFFFAOYSA-N
MW2244.70 g/mol
LogP20.45
Rot. Bonds41

About N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 160581143) has the molecular formula C119H125F3N20O14S4 and a molecular weight of 2244.70 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID160581143
Molecular FormulaC119H125F3N20O14S4
Molecular Weight2244.70 g/mol
Exact Mass2242.85
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)c1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)cc(OC)c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1
InChIInChI=1S/C31H35N5O3S.C30H33N5O4S.C29H28F3N5O3S.C29H29N5O4S/c1-22(2)39-26-8-4-6-24(20-26)21-33-30(37)29-10-9-28(40-29)27-11-13-32-31(35-27)34-25-7-3-5-23(19-25)12-14-36-15-17-38-18-16-36;1-37-24-17-22(18-25(19-24)38-2)20-32-29(36)28-7-6-27(40-28)26-8-10-31-30(34-26)33-23-5-3-4-21(16-23)9-11-35-12-14-39-15-13-35;30-29(31,32)40-23-6-2-4-21(18-23)19-34-27(38)26-8-7-25(41-26)24-9-11-33-28(36-24)35-22-5-1-3-20(17-22)10-12-37-13-15-39-16-14-37;35-28(31-18-21-4-5-24-25(17-21)38-19-37-24)27-7-6-26(39-27)23-8-10-30-29(33-23)32-22-3-1-2-20(16-22)9-11-34-12-14-36-15-13-34/h3-11,13,19-20,22H,12,14-18,21H2,1-2H3,(H,33,37)(H,32,34,35);3-8,10,16-19H,9,11-15,20H2,1-2H3,(H,32,36)(H,31,33,34);1-9,11,17-18H,10,12-16,19H2,(H,34,38)(H,33,35,36);1-8,10,16-17H,9,11-15,18-19H2,(H,31,35)(H,30,32,33)
InChIKeyRBUJLWJBUHEBRZ-UHFFFAOYSA-N
XLogP20.45
TPSA372.90 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.70
LogP ≤ 520.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 158801692
5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;methyl 3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoate;3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid;5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 159541509
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 159741906
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(3-methoxyphenyl)-5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 161642831
(9E)-15-(2-methoxyethoxy)-12-methyl-7,26-dioxa-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;(9E)-15-(2-methoxyethoxy)-12-methyl-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;2-[[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaen-11-yl]oxy]-1-pyrrolidin-1-ylethanone;2-[[(9E)-12-methyl-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaen-15-yl]oxy]-1-pyrrolidin-1-ylethanone;(16E)-14-methyl-11-(trifluoromethoxy)-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 162083563
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 16036787
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 16036798
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 59777048
N-(3-acetamidophenyl)-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;methyl 3-[[5-[2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]benzoate
CID 158292982
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[3-(4-methylpiperazin-1-yl)propyl]anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 159087261
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]pyrimidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 159494451
5-[5-fluoro-2-[3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[5-fluoro-2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 159932705

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 160581143) is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is CC(C)Oc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)c1.COc1cc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)s2)cc(OC)c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is RBUJLWJBUHEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3S.C30H33N5O4S.C29H28F3N5O3S.C29H29N5O4S/c1-22(2)39-26-8-4-6-24(20-26)21-33-30(37)29-10-9-28(40-29)27-11-13-32-31(35-27)34-25-7-3-5-23(19-25)12-14-36-15-17-38-18-16-36;1-37-24-17-22(18-25(19-24)38-2)20-32-29(36)28-7-6-27(40-28)26-8-10-31-30(34-26)33-23-5-3-4-21(16-23)9-11-35-12-14-39-15-13-35;30-29(31,32)40-23-6-2-4-21(18-23)19-34-27(38)26-8-7-25(41-26)24-9-11-33-28(36-24)35-22-5-1-3-20(17-22)10-12-37-13-15-39-16-14-37;35-28(31-18-21-4-5-24-25(17-21)38-19-37-24)27-7-6-26(39-27)23-8-10-30-29(33-23)32-22-3-1-2-20(16-22)9-11-34-12-14-36-15-13-34/h3-11,13,19-20,22H,12,14-18,21H2,1-2H3,(H,33,37)(H,32,34,35);3-8,10,16-19H,9,11-15,20H2,1-2H3,(H,32,36)(H,31,33,34);1-9,11,17-18H,10,12-16,19H2,(H,34,38)(H,33,35,36);1-8,10,16-17H,9,11-15,18-19H2,(H,31,35)(H,30,32,33).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 2244.70 g/mol, XLogP of 20.45, 41 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[(3,5-dimethoxyphenyl)methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 160581143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).