2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C96H100ClF9N24O12S3 — CID 164984077

IUPAC2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1ccccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)CC4)ncc2C(F)(F)F)c1
InChIInChI=1S/C31H39ClN6O3.C22H21F3N6O3S.C22H20F3N5O3S.C21H20F3N7O3S/c1-33-31(40)24-7-3-4-9-26(24)35-28-19-29(34-20-25(28)32)36-27-11-10-21-18-22(6-5-8-23(21)30(27)41-2)38-14-12-37(13-15-38)16-17-39;1-31(35(2,33)34)18-6-4-3-5-14(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-8-7-13-9-19(32)29-17(13)10-15;1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-7-5-14-6-8-19(31)29-18(14)10-15;1-31(35(2,33)34)19-13(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-6-5-12-8-17(32)29-16(12)9-14/h3-4,7,9-11,19-20,22,39H,5-6,8,12-18H2,1-2H3,(H,33,40)(H2,34,35,36);3-8,10,12H,9,11H2,1-2H3,(H,29,32)(H2,26,27,28,30);2-5,7,9-10,12H,6,8,11H2,1H3,(H,29,31)(H2,26,27,28,30);3-7,9,11H,8,10H2,1-2H3,(H,29,32)(H2,26,27,28,30)/t22-;;;/m0.../s1
InChIKeyFXDYHLOTXHIYCZ-NNUMAELLSA-N
MW2084.65 g/mol
LogP15.47
Rot. Bonds29

About 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164984077) has the molecular formula C96H100ClF9N24O12S3 and a molecular weight of 2084.65 g/mol. Its IUPAC name is 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164984077
Molecular FormulaC96H100ClF9N24O12S3
Molecular Weight2084.65 g/mol
Exact Mass2082.67
IUPAC Name2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1ccccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)CC4)ncc2C(F)(F)F)c1
InChIInChI=1S/C31H39ClN6O3.C22H21F3N6O3S.C22H20F3N5O3S.C21H20F3N7O3S/c1-33-31(40)24-7-3-4-9-26(24)35-28-19-29(34-20-25(28)32)36-27-11-10-21-18-22(6-5-8-23(21)30(27)41-2)38-14-12-37(13-15-38)16-17-39;1-31(35(2,33)34)18-6-4-3-5-14(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-8-7-13-9-19(32)29-17(13)10-15;1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-7-5-14-6-8-19(31)29-18(14)10-15;1-31(35(2,33)34)19-13(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-6-5-12-8-17(32)29-16(12)9-14/h3-4,7,9-11,19-20,22,39H,5-6,8,12-18H2,1-2H3,(H,33,40)(H2,34,35,36);3-8,10,12H,9,11H2,1-2H3,(H,29,32)(H2,26,27,28,30);2-5,7,9-10,12H,6,8,11H2,1H3,(H,29,31)(H2,26,27,28,30);3-7,9,11H,8,10H2,1-2H3,(H,29,32)(H2,26,27,28,30)/t22-;;;/m0.../s1
InChIKeyFXDYHLOTXHIYCZ-NNUMAELLSA-N
XLogP15.47
TPSA460.60 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.65
LogP ≤ 515.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;tetrakis(3-(7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);N-methyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163628353
2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;tris(3-(7-ethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163908404
2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;tetrakis(3-(7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163912490
2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;tetrakis(3-(7-ethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 164150580
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-[1-(2-hydroxyethyl)piperidin-3-yl]-5-propan-2-yloxy-3H-isoindol-1-one;6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-5-propan-2-yloxy-3H-isoindol-1-one;8-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methyl-9-propan-2-yloxy-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
CID 158435096

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 164984077) is 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1C(F)(F)F)S(C)(=O)=O.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl.CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)CC4)ncc2C(F)(F)F)c1.
What is the InChIKey of 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FXDYHLOTXHIYCZ-NNUMAELLSA-N. The full InChI is InChI=1S/C31H39ClN6O3.C22H21F3N6O3S.C22H20F3N5O3S.C21H20F3N7O3S/c1-33-31(40)24-7-3-4-9-26(24)35-28-19-29(34-20-25(28)32)36-27-11-10-21-18-22(6-5-8-23(21)30(27)41-2)38-14-12-37(13-15-38)16-17-39;1-31(35(2,33)34)18-6-4-3-5-14(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-8-7-13-9-19(32)29-17(13)10-15;1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-7-5-14-6-8-19(31)29-18(14)10-15;1-31(35(2,33)34)19-13(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-6-5-12-8-17(32)29-16(12)9-14/h3-4,7,9-11,19-20,22,39H,5-6,8,12-18H2,1-2H3,(H,33,40)(H2,34,35,36);3-8,10,12H,9,11H2,1-2H3,(H,29,32)(H2,26,27,28,30);2-5,7,9-10,12H,6,8,11H2,1H3,(H,29,31)(H2,26,27,28,30);3-7,9,11H,8,10H2,1-2H3,(H,29,32)(H2,26,27,28,30)/t22-;;;/m0.../s1.
What are the key properties of 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 2084.65 g/mol, XLogP of 15.47, 29 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide;7-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164984077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).