bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C149H135F3N22O5 — CID 160564269

IUPACbis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1
InChIInChI=1S/C33H31F3N6O.4C29H26N4O/c1-41-13-15-42(16-14-41)21-24-11-10-22(32(43)38-26-7-2-6-25(18-26)33(34,35)36)17-29(24)40-31-19-30(23-5-4-12-37-20-23)39-28-9-3-8-27(28)31;2*1-19-6-4-7-22(14-19)28(34)16-21-10-9-20(2)25(15-21)31-27-17-26(23-8-5-12-30-18-23)32-29-24(27)11-13-33(29)3;2*1-19-5-4-6-23(15-19)28(34)17-21-8-7-20(2)25(16-21)31-27-18-26(22-9-12-30-13-10-22)32-29-24(27)11-14-33(29)3/h2-8,10-12,17-20H,9,13-16,21H2,1H3,(H,38,43)(H,39,40);2*4-15,17-18H,16H2,1-3H3,(H,31,32);2*4-16,18H,17H2,1-3H3,(H,31,32)
InChIKeyQZSIPOYMDNJZCX-UHFFFAOYSA-N
MW2370.86 g/mol
LogP32.16
Rot. Bonds31

About bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 160564269) has the molecular formula C149H135F3N22O5 and a molecular weight of 2370.86 g/mol. Its IUPAC name is bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Namebis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID160564269
Molecular FormulaC149H135F3N22O5
Molecular Weight2370.86 g/mol
Exact Mass2369.09
IUPAC Namebis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1
InChIInChI=1S/C33H31F3N6O.4C29H26N4O/c1-41-13-15-42(16-14-41)21-24-11-10-22(32(43)38-26-7-2-6-25(18-26)33(34,35)36)17-29(24)40-31-19-30(23-5-4-12-37-20-23)39-28-9-3-8-27(28)31;2*1-19-6-4-7-22(14-19)28(34)16-21-10-9-20(2)25(15-21)31-27-17-26(23-8-5-12-30-18-23)32-29-24(27)11-13-33(29)3;2*1-19-5-4-6-23(15-19)28(34)17-21-8-7-20(2)25(16-21)31-27-18-26(22-9-12-30-13-10-22)32-29-24(27)11-14-33(29)3/h2-8,10-12,17-20H,9,13-16,21H2,1H3,(H,38,43)(H,39,40);2*4-15,17-18H,16H2,1-3H3,(H,31,32);2*4-16,18H,17H2,1-3H3,(H,31,32)
InChIKeyQZSIPOYMDNJZCX-UHFFFAOYSA-N
XLogP32.16
TPSA312.63 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.86
LogP ≤ 532.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-3-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452564
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)-2-propylanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452566
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-methylphenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452662
N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropyl)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452721
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452965
4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 145962679
4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]benzamide
CID 145963020
Nilotinib hydrochloride sesquihydrate
CID 155929024
4-[3-(dimethylamino)anilino]-N-[2-methyl-3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 11158062
4-(4-carbamoylanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 11262297
N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-(3-prop-1-en-2-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 11331224
3-imidazol-1-yl-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)pyridin-3-yl]-5-(trifluoromethyl)benzamide
CID 25151482

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 160564269) is bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)c1.
What is the InChIKey of bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QZSIPOYMDNJZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N6O.4C29H26N4O/c1-41-13-15-42(16-14-41)21-24-11-10-22(32(43)38-26-7-2-6-25(18-26)33(34,35)36)17-29(24)40-31-19-30(23-5-4-12-37-20-23)39-28-9-3-8-27(28)31;2*1-19-6-4-7-22(14-19)28(34)16-21-10-9-20(2)25(15-21)31-27-17-26(23-8-5-12-30-18-23)32-29-24(27)11-13-33(29)3;2*1-19-5-4-6-23(15-19)28(34)17-21-8-7-20(2)25(16-21)31-27-18-26(22-9-12-30-13-10-22)32-29-24(27)11-14-33(29)3/h2-8,10-12,17-20H,9,13-16,21H2,1H3,(H,38,43)(H,39,40);2*4-15,17-18H,16H2,1-3H3,(H,31,32);2*4-16,18H,17H2,1-3H3,(H,31,32).
What are the key properties of bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2370.86 g/mol, XLogP of 32.16, 31 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 160564269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).