N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

C129H139FN34O11 — CID 167653912

IUPACN-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4c(C#N)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(F)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(OC)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4ccc(C#N)cc34)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C33H38N8O4.C32H35FN8O3.2C32H33N9O2/c1-8-31(42)36-24-14-25(28(43-5)16-27(24)40(4)12-11-39(2)3)37-33-35-18-20(17-34)32(38-33)23-19-41(21-9-10-21)26-15-30(45-7)29(44-6)13-22(23)26;1-7-30(42)36-24-13-25(29(44-6)15-27(24)40(4)11-10-39(2)3)37-32-35-17-19(16-34)31(38-32)22-18-41(20-8-9-20)26-14-28(43-5)23(33)12-21(22)26;1-6-30(42)36-25-14-26(29(43-5)15-28(25)40(4)12-11-39(2)3)37-32-35-18-21(17-34)31(38-32)24-19-41(22-8-9-22)27-10-7-20(16-33)13-23(24)27;1-6-29(42)36-25-14-26(28(43-5)15-27(25)40(4)13-12-39(2)3)37-32-35-18-21(17-34)30(38-32)24-19-41(22-10-11-22)31-20(16-33)8-7-9-23(24)31/h8,13-16,18-19,21H,1,9-12H2,2-7H3,(H,36,42)(H,35,37,38);7,12-15,17-18,20H,1,8-11H2,2-6H3,(H,36,42)(H,35,37,38);6-7,10,13-15,18-19,22H,1,8-9,11-12H2,2-5H3,(H,36,42)(H,35,37,38);6-9,14-15,18-19,22H,1,10-13H2,2-5H3,(H,36,42)(H,35,37,38)
InChIKeyQYWXVCKBODVBNM-UHFFFAOYSA-N
MW2360.76 g/mol
LogP20.63
Rot. Bonds47

About N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide (PubChem CID 167653912) has the molecular formula C129H139FN34O11 and a molecular weight of 2360.76 g/mol. Its IUPAC name is N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
PubChem CID167653912
Molecular FormulaC129H139FN34O11
Molecular Weight2360.76 g/mol
Exact Mass2359.13
IUPAC NameN-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4c(C#N)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(F)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(OC)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4ccc(C#N)cc34)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C33H38N8O4.C32H35FN8O3.2C32H33N9O2/c1-8-31(42)36-24-14-25(28(43-5)16-27(24)40(4)12-11-39(2)3)37-33-35-18-20(17-34)32(38-33)23-19-41(21-9-10-21)26-15-30(45-7)29(44-6)13-22(23)26;1-7-30(42)36-24-13-25(29(44-6)15-27(24)40(4)11-10-39(2)3)37-32-35-17-19(16-34)31(38-32)22-18-41(20-8-9-20)26-14-28(43-5)23(33)12-21(22)26;1-6-30(42)36-25-14-26(29(43-5)15-28(25)40(4)12-11-39(2)3)37-32-35-18-21(17-34)31(38-32)24-19-41(22-8-9-22)27-10-7-20(16-33)13-23(24)27;1-6-29(42)36-25-14-26(28(43-5)15-27(25)40(4)13-12-39(2)3)37-32-35-18-21(17-34)30(38-32)24-19-41(22-10-11-22)31-20(16-33)8-7-9-23(24)31/h8,13-16,18-19,21H,1,9-12H2,2-7H3,(H,36,42)(H,35,37,38);7,12-15,17-18,20H,1,8-11H2,2-6H3,(H,36,42)(H,35,37,38);6-7,10,13-15,18-19,22H,1,8-9,11-12H2,2-5H3,(H,36,42)(H,35,37,38);6-9,14-15,18-19,22H,1,10-13H2,2-5H3,(H,36,42)(H,35,37,38)
InChIKeyQYWXVCKBODVBNM-UHFFFAOYSA-N
XLogP20.63
TPSA520.63 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.76
LogP ≤ 520.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-[5-[[5-cyano-4-(1-cyclopropyl-4-fluoroindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoroindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-7-fluoroindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-4-isocyanoindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 167690564
N-[5-[[5-cyano-4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 155324269
4-(1-cyclopropylindol-3-yl)-2-[4-[2-(dimethylamino)ethyl-methylamino]-5-hydroxy-2-methoxyanilino]pyrimidine-5-carbonitrile
CID 155324261
2-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-4-(1-cyclopropylindol-3-yl)pyrimidine-5-carbonitrile;3-chloropropanoyl chloride;N-[5-[[5-cyano-4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-(1-cyclopropylindol-3-yl)-2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]pyrimidine-5-carbonitrile;4-(1-cyclopropylindol-3-yl)-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidine-5-carbonitrile;N,N',N'-trimethylethane-1,2-diamine
CID 167582525
N-[5-[[5-cyano-4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[3-(dimethylamino)azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 155324183
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(oxetan-3-yl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 121280058
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)-5-(2-methylpropyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 150849143
N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 121280114
(2Z)-N-[5-[[5-cyano-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-(trifluoromethoxy)phenyl]penta-2,4-dienamide
CID 167434872
N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl(2-methylsulfanylethyl)amino]phenyl]prop-2-enamide
CID 162676308
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-cyclopropylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 118514912
N-[5-[[5-chloro-4-(6-cyanobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 121280212

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide (CID 167653912) is N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4c(C#N)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(F)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4cc(OC)c(OC)cc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4CC4)c4ccc(C#N)cc34)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is QYWXVCKBODVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O4.C32H35FN8O3.2C32H33N9O2/c1-8-31(42)36-24-14-25(28(43-5)16-27(24)40(4)12-11-39(2)3)37-33-35-18-20(17-34)32(38-33)23-19-41(21-9-10-21)26-15-30(45-7)29(44-6)13-22(23)26;1-7-30(42)36-24-13-25(29(44-6)15-27(24)40(4)11-10-39(2)3)37-32-35-17-19(16-34)31(38-32)22-18-41(20-8-9-20)26-14-28(43-5)23(33)12-21(22)26;1-6-30(42)36-25-14-26(29(43-5)15-28(25)40(4)12-11-39(2)3)37-32-35-18-21(17-34)31(38-32)24-19-41(22-8-9-22)27-10-7-20(16-33)13-23(24)27;1-6-29(42)36-25-14-26(28(43-5)15-27(25)40(4)13-12-39(2)3)37-32-35-18-21(17-34)30(38-32)24-19-41(22-10-11-22)31-20(16-33)8-7-9-23(24)31/h8,13-16,18-19,21H,1,9-12H2,2-7H3,(H,36,42)(H,35,37,38);7,12-15,17-18,20H,1,8-11H2,2-6H3,(H,36,42)(H,35,37,38);6-7,10,13-15,18-19,22H,1,8-9,11-12H2,2-5H3,(H,36,42)(H,35,37,38);6-9,14-15,18-19,22H,1,10-13H2,2-5H3,(H,36,42)(H,35,37,38).
What are the key properties of N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide?
N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 2360.76 g/mol, XLogP of 20.63, 47 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-cyano-4-(5-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(7-cyano-1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5,6-dimethoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-cyano-4-(1-cyclopropyl-5-fluoro-6-methoxyindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 167653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).