N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide

C105H143Cl4FN28O17S2 — CID 158923841

IUPACN-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(OC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(C(C)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(CCF)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1
InChIInChI=1S/C27H37ClFN7O3.C27H36ClN7O4.C26H36ClN7O5S.C25H34ClN7O5S/c1-5-25(37)31-21-12-22(24(38-4)13-23(21)36-9-6-19(7-10-36)34(2)3)32-27-30-14-20(28)26(33-27)39-17-18-15-35(16-18)11-8-29;1-6-25(37)30-21-11-22(24(38-5)12-23(21)34-9-7-19(8-10-34)33(3)4)31-27-29-13-20(28)26(32-27)39-16-18-14-35(15-18)17(2)36;1-6-24(35)29-20-11-21(23(38-4)12-22(20)33-9-7-18(8-10-33)32(2)3)30-26-28-13-19(27)25(31-26)39-16-17-14-34(15-17)40(5,36)37;1-6-23(34)28-19-11-20(22(37-4)12-21(19)32-9-7-16(8-10-32)31(2)3)29-25-27-13-18(26)24(30-25)38-17-14-33(15-17)39(5,35)36/h5,12-14,18-19H,1,6-11,15-17H2,2-4H3,(H,31,37)(H,30,32,33);6,11-13,18-19H,1,7-10,14-16H2,2-5H3,(H,30,37)(H,29,31,32);6,11-13,17-18H,1,7-10,14-16H2,2-5H3,(H,29,35)(H,28,30,31);6,11-13,16-17H,1,7-10,14-15H2,2-5H3,(H,28,34)(H,27,29,30)
InChIKeyJIEJMDMJVLWQSF-UHFFFAOYSA-N
MW2294.42 g/mol
LogP12.58
Rot. Bonds43

About N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide

N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 158923841) has the molecular formula C105H143Cl4FN28O17S2 and a molecular weight of 2294.42 g/mol. Its IUPAC name is N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
PubChem CID158923841
Molecular FormulaC105H143Cl4FN28O17S2
Molecular Weight2294.42 g/mol
Exact Mass2290.94
IUPAC NameN-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(OC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(C(C)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(CCF)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1
InChIInChI=1S/C27H37ClFN7O3.C27H36ClN7O4.C26H36ClN7O5S.C25H34ClN7O5S/c1-5-25(37)31-21-12-22(24(38-4)13-23(21)36-9-6-19(7-10-36)34(2)3)32-27-30-14-20(28)26(33-27)39-17-18-15-35(16-18)11-8-29;1-6-25(37)30-21-11-22(24(38-5)12-23(21)34-9-7-19(8-10-34)33(3)4)31-27-29-13-20(28)26(32-27)39-16-18-14-35(15-18)17(2)36;1-6-24(35)29-20-11-21(23(38-4)12-22(20)33-9-7-18(8-10-33)32(2)3)30-26-28-13-19(27)25(31-26)39-16-17-14-34(15-17)40(5,36)37;1-6-23(34)28-19-11-20(22(37-4)12-21(19)32-9-7-16(8-10-32)31(2)3)29-25-27-13-18(26)24(30-25)38-17-14-33(15-17)39(5,35)36/h5,12-14,18-19H,1,6-11,15-17H2,2-4H3,(H,31,37)(H,30,32,33);6,11-13,18-19H,1,7-10,14-16H2,2-5H3,(H,30,37)(H,29,31,32);6,11-13,17-18H,1,7-10,14-16H2,2-5H3,(H,29,35)(H,28,30,31);6,11-13,16-17H,1,7-10,14-15H2,2-5H3,(H,28,34)(H,27,29,30)
InChIKeyJIEJMDMJVLWQSF-UHFFFAOYSA-N
XLogP12.58
TPSA465.71 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.42
LogP ≤ 512.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide with MolForge

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Related Compounds

N-[5-[[4-(1-acetylazetidin-3-yl)oxy-5-fluoropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[1-(2-fluoroethyl)azetidin-3-yl]sulfanylpyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)sulfanylpyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 159991126
N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;formic acid
CID 126618254
N-[5-[[5-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 118464534
N-[5-[[4-[(3R)-1-acetylpiperidin-3-yl]oxy-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 118464472
N-[5-[[5-chloro-4-[[1-(3-fluoropropyl)cyclopropyl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 159813072
N-[5-[[4-[(1-acetylazetidin-3-yl)amino]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 118464504
N-[5-[[5-chloro-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]oxy-1,4-dihydropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 163498764
N-[5-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-2-[9-(dimethylamino)-3-azaspiro[5.5]undecan-3-yl]-4-methoxyphenyl]prop-2-enamide
CID 155184002
N-[5-[[5-chloro-4-(1-methylsulfinylpyrrolidin-3-yl)oxypyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 144945516
2-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxy-5-(prop-2-enoylamino)anilino]-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CID 129281932
N-[5-[[4-[4-chloro-5-fluoro-2-(2-hydroxypropan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 139377955
N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 118351806

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide (CID 158923841) is N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(C(C)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(CCF)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(OCC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1.
What is the InChIKey of N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is JIEJMDMJVLWQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN7O3.C27H36ClN7O4.C26H36ClN7O5S.C25H34ClN7O5S/c1-5-25(37)31-21-12-22(24(38-4)13-23(21)36-9-6-19(7-10-36)34(2)3)32-27-30-14-20(28)26(33-27)39-17-18-15-35(16-18)11-8-29;1-6-25(37)30-21-11-22(24(38-5)12-23(21)34-9-7-19(8-10-34)33(3)4)31-27-29-13-20(28)26(32-27)39-16-18-14-35(15-18)17(2)36;1-6-24(35)29-20-11-21(23(38-4)12-22(20)33-9-7-18(8-10-33)32(2)3)30-26-28-13-19(27)25(31-26)39-16-17-14-34(15-17)40(5,36)37;1-6-23(34)28-19-11-20(22(37-4)12-21(19)32-9-7-16(8-10-32)31(2)3)29-25-27-13-18(26)24(30-25)38-17-14-33(15-17)39(5,35)36/h5,12-14,18-19H,1,6-11,15-17H2,2-4H3,(H,31,37)(H,30,32,33);6,11-13,18-19H,1,7-10,14-16H2,2-5H3,(H,30,37)(H,29,31,32);6,11-13,17-18H,1,7-10,14-16H2,2-5H3,(H,29,35)(H,28,30,31);6,11-13,16-17H,1,7-10,14-15H2,2-5H3,(H,28,34)(H,27,29,30).
What are the key properties of N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide?
N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 2294.42 g/mol, XLogP of 12.58, 43 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(1-acetylazetidin-3-yl)methoxy]-5-chloropyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[[1-(2-fluoroethyl)azetidin-3-yl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 158923841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).