N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C130H116F4N26O14S5 — CID 160514373

IUPACN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.COc1cc(NC(=O)c2cccc(CSc3nccc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5sc(C)nc5C)c4)cs3)s2)cc(OC)c1OC.COc1ccc(Nc2cc(COc3cc(C(=O)Nc4ccc(-n5cccc5)c(C(F)(F)F)c4)ccc3F)[nH]n2)cn1.Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1
InChIInChI=1S/C30H28N6O2.C28H22F4N6O3.C27H26N6O4S3.C23H22N4O4S.C22H18N4OS/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23;1-40-26-9-6-19(15-33-26)34-25-14-20(36-37-25)16-41-24-12-17(4-7-22(24)29)27(39)35-18-5-8-23(38-10-2-3-11-38)21(13-18)28(30,31)32;1-13-22(39-14(2)29-13)25(34)30-16-8-6-7-15(9-16)18-12-38-26(32-18)23-24(28)33-27(40-23)31-17-10-19(35-3)21(37-5)20(11-17)36-4;1-29-19-10-16(11-20(30-2)21(19)31-3)26-22(28)15-6-4-5-14(9-15)13-32-23-17-12-25-27-18(17)7-8-24-23;1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h5-18H,1-4H3,(H,32,38)(H,33,34);2-15H,16H2,1H3,(H,35,39)(H2,34,36,37);6-12H,28H2,1-5H3,(H,30,34)(H,31,33);4-12H,13H2,1-3H3,(H,25,27)(H,26,28);2-14H,1H3,(H,23,27)(H,25,26)/b13-11+;;;;12-9+
InChIKeyQTLLPUPOHOBCFX-GABRRSPYSA-N
MW2502.85 g/mol
LogP28.12
Rot. Bonds38

About N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 160514373) has the molecular formula C130H116F4N26O14S5 and a molecular weight of 2502.85 g/mol. Its IUPAC name is N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID160514373
Molecular FormulaC130H116F4N26O14S5
Molecular Weight2502.85 g/mol
Exact Mass2500.77
IUPAC NameN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.COc1cc(NC(=O)c2cccc(CSc3nccc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5sc(C)nc5C)c4)cs3)s2)cc(OC)c1OC.COc1ccc(Nc2cc(COc3cc(C(=O)Nc4ccc(-n5cccc5)c(C(F)(F)F)c4)ccc3F)[nH]n2)cn1.Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1
InChIInChI=1S/C30H28N6O2.C28H22F4N6O3.C27H26N6O4S3.C23H22N4O4S.C22H18N4OS/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23;1-40-26-9-6-19(15-33-26)34-25-14-20(36-37-25)16-41-24-12-17(4-7-22(24)29)27(39)35-18-5-8-23(38-10-2-3-11-38)21(13-18)28(30,31)32;1-13-22(39-14(2)29-13)25(34)30-16-8-6-7-15(9-16)18-12-38-26(32-18)23-24(28)33-27(40-23)31-17-10-19(35-3)21(37-5)20(11-17)36-4;1-29-19-10-16(11-20(30-2)21(19)31-3)26-22(28)15-6-4-5-14(9-15)13-32-23-17-12-25-27-18(17)7-8-24-23;1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h5-18H,1-4H3,(H,32,38)(H,33,34);2-15H,16H2,1H3,(H,35,39)(H2,34,36,37);6-12H,28H2,1-5H3,(H,30,34)(H,31,33);4-12H,13H2,1-3H3,(H,25,27)(H,26,28);2-14H,1H3,(H,23,27)(H,25,26)/b13-11+;;;;12-9+
InChIKeyQTLLPUPOHOBCFX-GABRRSPYSA-N
XLogP28.12
TPSA514.19 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002502.85
LogP ≤ 528.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 160514373) is N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.COc1cc(NC(=O)c2cccc(CSc3nccc4[nH]ncc34)c2)cc(OC)c1OC.COc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5sc(C)nc5C)c4)cs3)s2)cc(OC)c1OC.COc1ccc(Nc2cc(COc3cc(C(=O)Nc4ccc(-n5cccc5)c(C(F)(F)F)c4)ccc3F)[nH]n2)cn1.Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2C)n(C(C)C)n1.
What is the InChIKey of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is QTLLPUPOHOBCFX-GABRRSPYSA-N. The full InChI is InChI=1S/C30H28N6O2.C28H22F4N6O3.C27H26N6O4S3.C23H22N4O4S.C22H18N4OS/c1-18(2)36-28(15-20(4)35-36)30(38)32-26-16-21(9-8-19(26)3)29(37)22-10-12-24-25(33-34-27(24)17-22)13-11-23-7-5-6-14-31-23;1-40-26-9-6-19(15-33-26)34-25-14-20(36-37-25)16-41-24-12-17(4-7-22(24)29)27(39)35-18-5-8-23(38-10-2-3-11-38)21(13-18)28(30,31)32;1-13-22(39-14(2)29-13)25(34)30-16-8-6-7-15(9-16)18-12-38-26(32-18)23-24(28)33-27(40-23)31-17-10-19(35-3)21(37-5)20(11-17)36-4;1-29-19-10-16(11-20(30-2)21(19)31-3)26-22(28)15-6-4-5-14(9-15)13-32-23-17-12-25-27-18(17)7-8-24-23;1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h5-18H,1-4H3,(H,32,38)(H,33,34);2-15H,16H2,1H3,(H,35,39)(H2,34,36,37);6-12H,28H2,1-5H3,(H,30,34)(H,31,33);4-12H,13H2,1-3H3,(H,25,27)(H,26,28);2-14H,1H3,(H,23,27)(H,25,26)/b13-11+;;;;12-9+.
What are the key properties of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 2502.85 g/mol, XLogP of 28.12, 38 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;4-fluoro-3-[[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]methoxy]-N-[4-pyrrol-1-yl-3-(trifluoromethyl)phenyl]benzamide;5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;3-(1H-pyrazolo[4,5-c]pyridin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 160514373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).