N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide

C192H182FN31O12S3 — CID 157379819

IUPACN-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cc4cnn(-c5ccc(NC(=O)c6cccn6C)cc5)c4cn3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5ccc(F)cn5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5ccncc5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5nccs5)cc4)c3)cc2)CC1.Cc1csc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1
InChIInChI=1S/C34H31FN4O2.C33H32N4O2S.C32H30N6O2.C32H30N4O2S.C31H31N7O2.C30H28N6O2S/c1-23-14-17-38(18-15-23)30-9-4-25(5-10-30)34(41)37-29-8-13-32-26(20-29)16-19-39(32)31-11-2-24(3-12-31)33(40)21-28-7-6-27(35)22-36-28;1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-23(2)21-40-32;1-22-14-18-37(19-15-22)28-7-2-23(3-8-28)31(39)36-27-6-11-30-25(20-27)21-34-38(30)29-9-4-26(5-10-29)35-32(40)24-12-16-33-17-13-24;1-22-12-16-35(17-13-22)27-7-4-24(5-8-27)32(38)34-26-6-11-29-25(20-26)14-18-36(29)28-9-2-23(3-10-28)30(37)21-31-33-15-19-39-31;1-21-13-16-37(17-14-21)25-9-5-22(6-10-25)30(39)35-29-18-23-19-33-38(28(23)20-32-29)26-11-7-24(8-12-26)34-31(40)27-4-3-15-36(27)2;1-20-12-15-35(16-13-20)25-7-2-21(3-8-25)28(37)34-24-6-11-27-22(18-24)19-32-36(27)26-9-4-23(5-10-26)33-29(38)30-31-14-17-39-30/h2-13,16,19-20,22-23H,14-15,17-18,21H2,1H3,(H,37,41);3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);2-13,16-17,20-22H,14-15,18-19H2,1H3,(H,35,40)(H,36,39);2-11,14-15,18-20,22H,12-13,16-17,21H2,1H3,(H,34,38);3-12,15,18-21H,13-14,16-17H2,1-2H3,(H,34,40)(H,32,35,39);2-11,14,17-20H,12-13,15-16H2,1H3,(H,33,38)(H,34,37)
InChIKeyBKTAHCIJMMHEHP-UHFFFAOYSA-N
MW3230.97 g/mol
LogP39.27
Rot. Bonds39

About N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide

N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide (PubChem CID 157379819) has the molecular formula C192H182FN31O12S3 and a molecular weight of 3230.97 g/mol. Its IUPAC name is N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide
PubChem CID157379819
Molecular FormulaC192H182FN31O12S3
Molecular Weight3230.97 g/mol
Exact Mass3228.37
IUPAC NameN-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cc4cnn(-c5ccc(NC(=O)c6cccn6C)cc5)c4cn3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5ccc(F)cn5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5ccncc5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5nccs5)cc4)c3)cc2)CC1.Cc1csc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1
InChIInChI=1S/C34H31FN4O2.C33H32N4O2S.C32H30N6O2.C32H30N4O2S.C31H31N7O2.C30H28N6O2S/c1-23-14-17-38(18-15-23)30-9-4-25(5-10-30)34(41)37-29-8-13-32-26(20-29)16-19-39(32)31-11-2-24(3-12-31)33(40)21-28-7-6-27(35)22-36-28;1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-23(2)21-40-32;1-22-14-18-37(19-15-22)28-7-2-23(3-8-28)31(39)36-27-6-11-30-25(20-27)21-34-38(30)29-9-4-26(5-10-29)35-32(40)24-12-16-33-17-13-24;1-22-12-16-35(17-13-22)27-7-4-24(5-8-27)32(38)34-26-6-11-29-25(20-26)14-18-36(29)28-9-2-23(3-10-28)30(37)21-31-33-15-19-39-31;1-21-13-16-37(17-14-21)25-9-5-22(6-10-25)30(39)35-29-18-23-19-33-38(28(23)20-32-29)26-11-7-24(8-12-26)34-31(40)27-4-3-15-36(27)2;1-20-12-15-35(16-13-20)25-7-2-21(3-8-25)28(37)34-24-6-11-27-22(18-24)19-32-36(27)26-9-4-23(5-10-26)33-29(38)30-31-14-17-39-30/h2-13,16,19-20,22-23H,14-15,17-18,21H2,1H3,(H,37,41);3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);2-13,16-17,20-22H,14-15,18-19H2,1H3,(H,35,40)(H,36,39);2-11,14-15,18-20,22H,12-13,16-17,21H2,1H3,(H,34,38);3-12,15,18-21H,13-14,16-17H2,1-2H3,(H,34,40)(H,32,35,39);2-11,14,17-20H,12-13,15-16H2,1H3,(H,33,38)(H,34,37)
InChIKeyBKTAHCIJMMHEHP-UHFFFAOYSA-N
XLogP39.27
TPSA483.07 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003230.97
LogP ≤ 539.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505506
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505508
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505509
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505536
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505560
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505679
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505687
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505706
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505835
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1R,4R)-5-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505940
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505945
5-[2-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]ethynyl]-N-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 156505971

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide?
The IUPAC name of N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide (CID 157379819) is N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide.
What is the SMILES notation for N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide?
The canonical SMILES for N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide is CC1CCN(c2ccc(C(=O)Nc3cc4cnn(-c5ccc(NC(=O)c6cccn6C)cc5)c4cn3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5ccc(F)cn5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5ccncc5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5nccs5)cc4)c3)cc2)CC1.Cc1csc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1.
What is the InChIKey of N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide?
The InChIKey is BKTAHCIJMMHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O2.C33H32N4O2S.C32H30N6O2.C32H30N4O2S.C31H31N7O2.C30H28N6O2S/c1-23-14-17-38(18-15-23)30-9-4-25(5-10-30)34(41)37-29-8-13-32-26(20-29)16-19-39(32)31-11-2-24(3-12-31)33(40)21-28-7-6-27(35)22-36-28;1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-23(2)21-40-32;1-22-14-18-37(19-15-22)28-7-2-23(3-8-28)31(39)36-27-6-11-30-25(20-27)21-34-38(30)29-9-4-26(5-10-29)35-32(40)24-12-16-33-17-13-24;1-22-12-16-35(17-13-22)27-7-4-24(5-8-27)32(38)34-26-6-11-29-25(20-26)14-18-36(29)28-9-2-23(3-10-28)30(37)21-31-33-15-19-39-31;1-21-13-16-37(17-14-21)25-9-5-22(6-10-25)30(39)35-29-18-23-19-33-38(28(23)20-32-29)26-11-7-24(8-12-26)34-31(40)27-4-3-15-36(27)2;1-20-12-15-35(16-13-20)25-7-2-21(3-8-25)28(37)34-24-6-11-27-22(18-24)19-32-36(27)26-9-4-23(5-10-26)33-29(38)30-31-14-17-39-30/h2-13,16,19-20,22-23H,14-15,17-18,21H2,1H3,(H,37,41);3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);2-13,16-17,20-22H,14-15,18-19H2,1H3,(H,35,40)(H,36,39);2-11,14-15,18-20,22H,12-13,16-17,21H2,1H3,(H,34,38);3-12,15,18-21H,13-14,16-17H2,1-2H3,(H,34,40)(H,32,35,39);2-11,14,17-20H,12-13,15-16H2,1H3,(H,33,38)(H,34,37).
What are the key properties of N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide?
N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide has a molecular weight of 3230.97 g/mol, XLogP of 39.27, 39 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide is sourced from PubChem (CID 157379819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).