N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide

C113H129F4N29O12 — CID 158478955

IUPACN-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1OCCN(C)C(C)C
InChIInChI=1S/C29H32F2N8O3.C28H31F2N7O3.2C28H33N7O3/c1-4-28(40)36-22-14-23(26(42-29(30)31)16-25(22)41-12-11-39-9-7-37(2)8-10-39)35-27-15-21(32-18-33-27)19-5-6-24-20(13-19)17-34-38(24)3;1-6-27(38)35-21-12-22(25(40-28(29)30)14-24(21)39-10-9-36(4)17(2)3)34-26-13-20(31-16-32-26)18-7-8-23-19(11-18)15-33-37(23)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-24-20(12-19)16-31-35(24)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-20-16-31-35(5)24(20)12-19/h4-6,13-18,29H,1,7-12H2,2-3H3,(H,36,40)(H,32,33,35);6-8,11-17,28H,1,9-10H2,2-5H3,(H,35,38)(H,31,32,34);2*7-9,12-18H,1,10-11H2,2-6H3,(H,33,36)(H,29,30,32)
InChIKeyHHGZBYGXRRRZMQ-UHFFFAOYSA-N
MW2161.46 g/mol
LogP18.60
Rot. Bonds45

About N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide

N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide (PubChem CID 158478955) has the molecular formula C113H129F4N29O12 and a molecular weight of 2161.46 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide
PubChem CID158478955
Molecular FormulaC113H129F4N29O12
Molecular Weight2161.46 g/mol
Exact Mass2160.03
IUPAC NameN-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1OCCN(C)C(C)C
InChIInChI=1S/C29H32F2N8O3.C28H31F2N7O3.2C28H33N7O3/c1-4-28(40)36-22-14-23(26(42-29(30)31)16-25(22)41-12-11-39-9-7-37(2)8-10-39)35-27-15-21(32-18-33-27)19-5-6-24-20(13-19)17-34-38(24)3;1-6-27(38)35-21-12-22(25(40-28(29)30)14-24(21)39-10-9-36(4)17(2)3)34-26-13-20(31-16-32-26)18-7-8-23-19(11-18)15-33-37(23)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-24-20(12-19)16-31-35(24)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-20-16-31-35(5)24(20)12-19/h4-6,13-18,29H,1,7-12H2,2-3H3,(H,36,40)(H,32,33,35);6-8,11-17,28H,1,9-10H2,2-5H3,(H,35,38)(H,31,32,34);2*7-9,12-18H,1,10-11H2,2-6H3,(H,33,36)(H,29,30,32)
InChIKeyHHGZBYGXRRRZMQ-UHFFFAOYSA-N
XLogP18.60
TPSA428.96 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds45
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.46
LogP ≤ 518.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide with MolForge

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Related Compounds

1-[4-[7-[4-[(5S)-5-[[7-(5-methoxy-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-2-propan-2-ylphenyl]-2-[[(2S)-1-methyl-4-[3-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 132163250
N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethoxy]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146498249
N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide
CID 146498272
N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethoxy]-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146498445
N-[6-[2-(dimethylamino)ethoxy]-2-fluoro-4-methoxy-3-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146498452
N-[2-[2-(dimethylamino)ethoxy]-5-[[6-(6-fluoro-1-methylindazol-5-yl)pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 146498462
N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide
CID 146498526
N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]prop-2-enamide
CID 146561446
(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157061010
(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157131582
(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157375358
2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157524777

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide?
The IUPAC name of N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide (CID 158478955) is N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC(F)F)cc1OCCN1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)cc1OCCN(C)C(C)C.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1OCCN(C)C(C)C.
What is the InChIKey of N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide?
The InChIKey is HHGZBYGXRRRZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N8O3.C28H31F2N7O3.2C28H33N7O3/c1-4-28(40)36-22-14-23(26(42-29(30)31)16-25(22)41-12-11-39-9-7-37(2)8-10-39)35-27-15-21(32-18-33-27)19-5-6-24-20(13-19)17-34-38(24)3;1-6-27(38)35-21-12-22(25(40-28(29)30)14-24(21)39-10-9-36(4)17(2)3)34-26-13-20(31-16-32-26)18-7-8-23-19(11-18)15-33-37(23)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-24-20(12-19)16-31-35(24)5;1-7-28(36)33-23-13-22(25(37-6)15-26(23)38-11-10-34(4)18(2)3)32-27-14-21(29-17-30-27)19-8-9-20-16-31-35(5)24(20)12-19/h4-6,13-18,29H,1,7-12H2,2-3H3,(H,36,40)(H,32,33,35);6-8,11-17,28H,1,9-10H2,2-5H3,(H,35,38)(H,31,32,34);2*7-9,12-18H,1,10-11H2,2-6H3,(H,33,36)(H,29,30,32).
What are the key properties of N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide?
N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide has a molecular weight of 2161.46 g/mol, XLogP of 18.60, 45 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 158478955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).