N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C121H147Cl3F3N29O15Si4 — CID 157240484

IUPACN-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)CCC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)CCC[Si](C)(C)O)CC1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCC[Si](C)(C)O)CC4)cc3OC)ncc2C(F)(F)F)c1
InChIInChI=1S/C31H37ClN8O4Si.C31H39ClN8O4Si.C31H38F3N7O4Si.C28H33ClN6O3Si/c1-5-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-11-7-6-9-25(21)40)27(44-2)18-26(23)38-12-14-39(15-13-38)29(42)10-8-16-45(3,4)43;1-7-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-13-9-8-11-25(21)40)27(44-4)18-26(23)38(2)14-15-39(3)29(42)12-10-16-45(5,6)43;1-5-27(42)36-21-8-6-9-22(18-21)37-29-24(31(32,33)34)20-35-30(39-29)38-25-12-11-23(19-26(25)45-2)40-13-15-41(16-14-40)28(43)10-7-17-46(3,4)44;1-7-26(36)31-21-14-22(25(38-4)15-24(21)34(2)12-13-39(5,6)37)32-28-30-16-20(29)27(33-28)19-17-35(3)23-11-9-8-10-18(19)23/h5-7,9,11,17-20,43H,1,8,10,12-16H2,2-4H3,(H,35,41)(H,33,36,37);7-9,11,13,17-20,43H,1,10,12,14-16H2,2-6H3,(H,35,41)(H,33,36,37);5-6,8-9,11-12,18-20,44H,1,7,10,13-17H2,2-4H3,(H,36,42)(H2,35,37,38,39);7-11,14-17,37H,1,12-13H2,2-6H3,(H,31,36)(H,30,32,33)
InChIKeyAVDPRWMKPDBRJP-UHFFFAOYSA-N
MW2523.39 g/mol
LogP21.68
Rot. Bonds47

About N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 157240484) has the molecular formula C121H147Cl3F3N29O15Si4 and a molecular weight of 2523.39 g/mol. Its IUPAC name is N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID157240484
Molecular FormulaC121H147Cl3F3N29O15Si4
Molecular Weight2523.39 g/mol
Exact Mass2519.97
IUPAC NameN-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)CCC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)CCC[Si](C)(C)O)CC1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCC[Si](C)(C)O)CC4)cc3OC)ncc2C(F)(F)F)c1
InChIInChI=1S/C31H37ClN8O4Si.C31H39ClN8O4Si.C31H38F3N7O4Si.C28H33ClN6O3Si/c1-5-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-11-7-6-9-25(21)40)27(44-2)18-26(23)38-12-14-39(15-13-38)29(42)10-8-16-45(3,4)43;1-7-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-13-9-8-11-25(21)40)27(44-4)18-26(23)38(2)14-15-39(3)29(42)12-10-16-45(5,6)43;1-5-27(42)36-21-8-6-9-22(18-21)37-29-24(31(32,33)34)20-35-30(39-29)38-25-12-11-23(19-26(25)45-2)40-13-15-41(16-14-40)28(43)10-7-17-46(3,4)44;1-7-26(36)31-21-14-22(25(38-4)15-24(21)34(2)12-13-39(5,6)37)32-28-30-16-20(29)27(33-28)19-17-35(3)23-11-9-8-10-18(19)23/h5-7,9,11,17-20,43H,1,8,10,12-16H2,2-4H3,(H,35,41)(H,33,36,37);7-9,11,13,17-20,43H,1,10,12,14-16H2,2-6H3,(H,35,41)(H,33,36,37);5-6,8-9,11-12,18-20,44H,1,7,10,13-17H2,2-4H3,(H,36,42)(H2,35,37,38,39);7-11,14-17,37H,1,12-13H2,2-6H3,(H,31,36)(H,30,32,33)
InChIKeyAVDPRWMKPDBRJP-UHFFFAOYSA-N
XLogP21.68
TPSA510.93 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.39
LogP ≤ 521.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-(5-{[5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl]amino}-4-methoxy-2-{methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino}phenyl)prop-2-enamide
CID 86677274
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-[(2S)-piperidine-2-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 118719575
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 118719576
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-(piperazine-1-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 118719579
(Z)-N-[2-(4-acetylpiperazin-1-yl)-5-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-3-[1-[1-[4-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-5-methoxy-2-(prop-2-enoylamino)phenyl]piperidin-4-yl]piperidin-3-yl]prop-2-enamide
CID 130197218
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[2-(dimethylamino)-1-hydroxyethyl]piperazin-1-yl]-4-methoxyphenyl]-2-fluoroprop-2-enamide
CID 141514795
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]-2-fluoroprop-2-enamide
CID 141514812
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]-2-fluoroprop-2-enamide
CID 141514832
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]-2-fluoroprop-2-enamide
CID 141514857
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]phenyl]-2-fluoroprop-2-enamide
CID 141514864
N-[2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide
CID 141514897
N-[5-[[4-(7-chloro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(7-cyano-1-ethyl-3-methylindol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1,3-dimethyl-7-(trifluoromethyl)indol-5-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-1,3-dimethylindol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 157093115

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 157240484) is N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)CCC[Si](C)(C)O.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)CCC[Si](C)(C)O)CC1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCC[Si](C)(C)O)CC4)cc3OC)ncc2C(F)(F)F)c1.
What is the InChIKey of N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The InChIKey is AVDPRWMKPDBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN8O4Si.C31H39ClN8O4Si.C31H38F3N7O4Si.C28H33ClN6O3Si/c1-5-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-11-7-6-9-25(21)40)27(44-2)18-26(23)38-12-14-39(15-13-38)29(42)10-8-16-45(3,4)43;1-7-28(41)35-23-17-24(36-31-33-20-22(32)30(37-31)21-19-34-40-13-9-8-11-25(21)40)27(44-4)18-26(23)38(2)14-15-39(3)29(42)12-10-16-45(5,6)43;1-5-27(42)36-21-8-6-9-22(18-21)37-29-24(31(32,33)34)20-35-30(39-29)38-25-12-11-23(19-26(25)45-2)40-13-15-41(16-14-40)28(43)10-7-17-46(3,4)44;1-7-26(36)31-21-14-22(25(38-4)15-24(21)34(2)12-13-39(5,6)37)32-28-30-16-20(29)27(33-28)19-17-35(3)23-11-9-8-10-18(19)23/h5-7,9,11,17-20,43H,1,8,10,12-16H2,2-4H3,(H,35,41)(H,33,36,37);7-9,11,13,17-20,43H,1,10,12,14-16H2,2-6H3,(H,35,41)(H,33,36,37);5-6,8-9,11-12,18-20,44H,1,7,10,13-17H2,2-4H3,(H,36,42)(H2,35,37,38,39);7-11,14-17,37H,1,12-13H2,2-6H3,(H,31,36)(H,30,32,33).
What are the key properties of N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2523.39 g/mol, XLogP of 21.68, 47 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-[hydroxy(dimethyl)silyl]ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-N-methyl-2-(prop-2-enoylamino)anilino]ethyl]-4-[hydroxy(dimethyl)silyl]-N-methylbutanamide;N-[3-[[2-[4-[4-[4-[hydroxy(dimethyl)silyl]butanoyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).