4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one

C116H142ClF4N19O12 — CID 157216430

IUPAC4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one
SMILESCOCCOc1ccc(Nc2ncc(F)c(N3CCCC(CNC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)CNc4cccc(Cl)c4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(NCC3CCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C30H38FN5O3.C30H37FN4O3.C29H36FN5O3.C27H31ClFN5O3/c1-30(2,3)23-9-7-22(8-10-23)28(37)32-18-21-6-5-15-36(20-21)27-26(31)19-33-29(35-27)34-24-11-13-25(14-12-24)39-17-16-38-4;1-30(2,3)23-9-7-22(8-10-23)27(36)18-21-6-5-15-35(20-21)28-26(31)19-32-29(34-28)33-24-11-13-25(14-12-24)38-17-16-37-4;1-29(2,3)22-7-5-21(6-8-22)27(36)35-14-13-20(19-35)17-31-26-25(30)18-32-28(34-26)33-23-9-11-24(12-10-23)38-16-15-37-4;1-36-12-13-37-24-9-7-21(8-10-24)32-27-31-17-25(29)26(33-27)34-11-3-4-19(18-34)14-23(35)16-30-22-6-2-5-20(28)15-22/h7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,37)(H,33,34,35);7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,33,34);5-12,18,20H,13-17,19H2,1-4H3,(H2,31,32,33,34);2,5-10,15,17,19,30H,3-4,11-14,16,18H2,1H3,(H,31,32,33)/t;21-;;19-/m.0.0/s1
InChIKeyASLWUJQMMPWTDV-SOYVJETQSA-N
MW2105.98 g/mol
LogP22.08
Rot. Bonds42

About 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one

4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one (PubChem CID 157216430) has the molecular formula C116H142ClF4N19O12 and a molecular weight of 2105.98 g/mol. Its IUPAC name is 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one
PubChem CID157216430
Molecular FormulaC116H142ClF4N19O12
Molecular Weight2105.98 g/mol
Exact Mass2104.07
IUPAC Name4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one
SMILESCOCCOc1ccc(Nc2ncc(F)c(N3CCCC(CNC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)CNc4cccc(Cl)c4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(NCC3CCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C30H38FN5O3.C30H37FN4O3.C29H36FN5O3.C27H31ClFN5O3/c1-30(2,3)23-9-7-22(8-10-23)28(37)32-18-21-6-5-15-36(20-21)27-26(31)19-33-29(35-27)34-24-11-13-25(14-12-24)39-17-16-38-4;1-30(2,3)23-9-7-22(8-10-23)27(36)18-21-6-5-15-35(20-21)28-26(31)19-32-29(34-28)33-24-11-13-25(14-12-24)38-17-16-37-4;1-29(2,3)22-7-5-21(6-8-22)27(36)35-14-13-20(19-35)17-31-26-25(30)18-32-28(34-26)33-23-9-11-24(12-10-23)38-16-15-37-4;1-36-12-13-37-24-9-7-21(8-10-24)32-27-31-17-25(29)26(33-27)34-11-3-4-19(18-34)14-23(35)16-30-22-6-2-5-20(28)15-22/h7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,37)(H,33,34,35);7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,33,34);5-12,18,20H,13-17,19H2,1-4H3,(H2,31,32,33,34);2,5-10,15,17,19,30H,3-4,11-14,16,18H2,1H3,(H,31,32,33)/t;21-;;19-/m.0.0/s1
InChIKeyASLWUJQMMPWTDV-SOYVJETQSA-N
XLogP22.08
TPSA342.41 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002105.98
LogP ≤ 522.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one with MolForge

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Related Compounds

(4-Tert-butylphenyl)-[9-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 124177351
(4-Tert-butylphenyl)-[8-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 124177359
4-[4-[2-[(2E,4E)-5-[[4-[(3R)-3-[[2-(3-chloroanilino)acetyl]amino]piperidin-1-yl]-5-fluoropyrimidin-2-yl]amino]hexa-2,4-dien-2-yl]oxyethoxy]-2-methylbutan-2-yl]-N-[(3R)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]benzamide
CID 155298508
3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 157961305
N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 158054632
1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 159229952
N-[(16E)-3-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(3-oxopent-4-enyl)benzamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-[(prop-2-enoylamino)methyl]benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzamide;N-[(16E)-14-methyl-3-(trifluoromethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide
CID 161374788
6-[2-(1-Acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclohexylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(oxetan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161863154
4-tert-butyl-N-[(1R)-3-[[2-[4-[2-[[2-(4-tert-butylbenzoyl)-8-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]-2,8-diazaspiro[5.5]undecan-4-yl]methoxy]ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 163509286
4-(2-chloro-N-[2-[4-[[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]methoxy]anilino]-5-fluoropyrimidin-4-yl]anilino)benzamide
CID 172237298
N-(2-chlorophenyl)-4-[[2-[4-[[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]methoxy]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide
CID 172237422
N-[3-[[2-[3-(1-azabicyclo[2.2.2]octan-4-ylmethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(1-azabicyclo[2.2.2]octan-4-ylmethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[(3R)-3-[2-(3-chloroanilino)-5-fluoropyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[2-[3-[[5-fluoro-4-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-2-yl]amino]phenoxy]ethyl]pyrrolidin-2-one
CID 157153940

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one?
The IUPAC name of 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one (CID 157216430) is 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one.
What is the SMILES notation for 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one?
The canonical SMILES for 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one is COCCOc1ccc(Nc2ncc(F)c(N3CCCC(CNC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)CNc4cccc(Cl)c4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(N3CCC[C@@H](CC(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.COCCOc1ccc(Nc2ncc(F)c(NCC3CCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one?
The InChIKey is ASLWUJQMMPWTDV-SOYVJETQSA-N. The full InChI is InChI=1S/C30H38FN5O3.C30H37FN4O3.C29H36FN5O3.C27H31ClFN5O3/c1-30(2,3)23-9-7-22(8-10-23)28(37)32-18-21-6-5-15-36(20-21)27-26(31)19-33-29(35-27)34-24-11-13-25(14-12-24)39-17-16-38-4;1-30(2,3)23-9-7-22(8-10-23)27(36)18-21-6-5-15-35(20-21)28-26(31)19-32-29(34-28)33-24-11-13-25(14-12-24)38-17-16-37-4;1-29(2,3)22-7-5-21(6-8-22)27(36)35-14-13-20(19-35)17-31-26-25(30)18-32-28(34-26)33-23-9-11-24(12-10-23)38-16-15-37-4;1-36-12-13-37-24-9-7-21(8-10-24)32-27-31-17-25(29)26(33-27)34-11-3-4-19(18-34)14-23(35)16-30-22-6-2-5-20(28)15-22/h7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,37)(H,33,34,35);7-14,19,21H,5-6,15-18,20H2,1-4H3,(H,32,33,34);5-12,18,20H,13-17,19H2,1-4H3,(H2,31,32,33,34);2,5-10,15,17,19,30H,3-4,11-14,16,18H2,1H3,(H,31,32,33)/t;21-;;19-/m.0.0/s1.
What are the key properties of 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one?
4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one has a molecular weight of 2105.98 g/mol, XLogP of 22.08, 42 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one is sourced from PubChem (CID 157216430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).