4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C127H116F12N22O4 — CID 158200725

IUPAC4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN(C)Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.CN1CCN(c2ccc(CC(=O)c3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1
InChIInChI=1S/C33H30F3N5O.C32H29F3N6O.C32H31F3N6O.C30H26F3N5O/c1-40-13-15-41(16-14-40)31-11-10-22(18-32(42)23-5-2-7-25(19-23)33(34,35)36)17-30(31)39-29-20-28(24-6-4-12-37-21-24)38-27-9-3-8-26(27)29;1-40-13-15-41(16-14-40)30-11-10-21(31(42)37-24-7-2-6-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-5-4-12-36-20-22)38-26-9-3-8-25(26)28;1-40(2)15-16-41(3)30-13-12-21(31(42)37-24-9-4-8-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-7-6-14-36-20-22)38-26-11-5-10-25(26)28;1-38(2)18-21-12-11-19(29(39)35-23-8-3-7-22(15-23)30(31,32)33)14-26(21)37-28-16-27(20-6-5-13-34-17-20)36-25-10-4-9-24(25)28/h2-8,10-12,17,19-21H,9,13-16,18H2,1H3,(H,38,39);2-8,10-12,17-20H,9,13-16H2,1H3,(H,37,42)(H,38,39);4-10,12-14,17-20H,11,15-16H2,1-3H3,(H,37,42)(H,38,39);3-9,11-17H,10,18H2,1-2H3,(H,35,39)(H,36,37)
InChIKeyGAWYQGMEPHFPPI-UHFFFAOYSA-N
MW2242.45 g/mol
LogP26.65
Rot. Bonds29

About 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 158200725) has the molecular formula C127H116F12N22O4 and a molecular weight of 2242.45 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID158200725
Molecular FormulaC127H116F12N22O4
Molecular Weight2242.45 g/mol
Exact Mass2240.94
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN(C)Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.CN1CCN(c2ccc(CC(=O)c3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1
InChIInChI=1S/C33H30F3N5O.C32H29F3N6O.C32H31F3N6O.C30H26F3N5O/c1-40-13-15-41(16-14-40)31-11-10-22(18-32(42)23-5-2-7-25(19-23)33(34,35)36)17-30(31)39-29-20-28(24-6-4-12-37-21-24)38-27-9-3-8-26(27)29;1-40-13-15-41(16-14-40)30-11-10-21(31(42)37-24-7-2-6-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-5-4-12-36-20-22)38-26-9-3-8-25(26)28;1-40(2)15-16-41(3)30-13-12-21(31(42)37-24-9-4-8-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-7-6-14-36-20-22)38-26-11-5-10-25(26)28;1-38(2)18-21-12-11-19(29(39)35-23-8-3-7-22(15-23)30(31,32)33)14-26(21)37-28-16-27(20-6-5-13-34-17-20)36-25-10-4-9-24(25)28/h2-8,10-12,17,19-21H,9,13-16,18H2,1H3,(H,38,39);2-8,10-12,17-20H,9,13-16H2,1H3,(H,37,42)(H,38,39);4-10,12-14,17-20H,11,15-16H2,1-3H3,(H,37,42)(H,38,39);3-9,11-17H,10,18H2,1-2H3,(H,35,39)(H,36,37)
InChIKeyGAWYQGMEPHFPPI-UHFFFAOYSA-N
XLogP26.65
TPSA278.29 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002242.45
LogP ≤ 526.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-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

4-[5-[[2-[4-(2-benzamidoacetyl)piperazin-1-yl]benzoyl]amino]pyridin-2-yl]-2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-N-pyridin-3-ylbenzamide
CID 90891347
4-[4-[2-Oxo-4-[3-[2-oxo-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]quinolin-6-yl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 123807972
4-[4-[9-[6-ethenyl-5-[(Z)-prop-1-enyl]pyridin-3-yl]-2-oxo-4-[5-[2-oxo-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]naphthalen-1-yl]benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 144127566
N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 144714987
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide
CID 148738726
2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
CID 157131566
4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide
CID 157133831
2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride
CID 157295099
5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157408098
2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 157649582
4-[[(E)-but-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(prop-2-enoylamino)benzamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(prop-2-enoylamino)benzamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(prop-2-enoylamino)-3-(trifluoromethyl)benzamide
CID 157745308
1-(4-fluoro-3,5-dimethylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-3H-indol-2-one;1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 157963030

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 158200725) is 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C)CCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN(C)Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2c1C=CC2.CN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.CN1CCN(c2ccc(CC(=O)c3cccc(C(F)(F)F)c3)cc2Nc2cc(-c3cccnc3)nc3c2C=CC3)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GAWYQGMEPHFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N5O.C32H29F3N6O.C32H31F3N6O.C30H26F3N5O/c1-40-13-15-41(16-14-40)31-11-10-22(18-32(42)23-5-2-7-25(19-23)33(34,35)36)17-30(31)39-29-20-28(24-6-4-12-37-21-24)38-27-9-3-8-26(27)29;1-40-13-15-41(16-14-40)30-11-10-21(31(42)37-24-7-2-6-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-5-4-12-36-20-22)38-26-9-3-8-25(26)28;1-40(2)15-16-41(3)30-13-12-21(31(42)37-24-9-4-8-23(18-24)32(33,34)35)17-29(30)39-28-19-27(22-7-6-14-36-20-22)38-26-11-5-10-25(26)28;1-38(2)18-21-12-11-19(29(39)35-23-8-3-7-22(15-23)30(31,32)33)14-26(21)37-28-16-27(20-6-5-13-34-17-20)36-25-10-4-9-24(25)28/h2-8,10-12,17,19-21H,9,13-16,18H2,1H3,(H,38,39);2-8,10-12,17-20H,9,13-16H2,1H3,(H,37,42)(H,38,39);4-10,12-14,17-20H,11,15-16H2,1-3H3,(H,37,42)(H,38,39);3-9,11-17H,10,18H2,1-2H3,(H,35,39)(H,36,37).
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2242.45 g/mol, XLogP of 26.65, 29 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).