2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine

C137H140ClF11N30O5 — CID 160851354

IUPAC2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(CC)C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCCC4)n3)c2F)C1
InChIInChI=1S/C32H29F5N6O.C28H28FN7O.C27H31ClN6O.C25H26F4N6O.C25H26FN5O/c1-3-5-20-14-27(38-18-20)39-28-17-29(43-10-8-42(9-11-43)22-7-4-6-21(15-22)32(35,36)37)41-31(40-28)44-26-16-25(33)23-12-19(2)13-24(23)30(26)34;1-18-13-20-3-4-23(27(29)22(20)14-18)37-28-33-25(32-24-15-19(2)17-31-24)16-26(34-28)36-11-9-35(10-12-36)21-5-7-30-8-6-21;1-4-6-18-13-23(30-15-18)31-24-14-25(34-10-9-29-20(5-2)16-34)33-27(32-24)35-22-8-7-19-11-17(3)12-21(19)26(22)28;1-15-9-17-3-4-19(23(26)18(17)10-15)36-24-32-21(31-20-11-16(2)13-30-20)12-22(33-24)35-7-5-34(6-8-35)14-25(27,28)29;1-15-10-17-6-7-20(24(26)19(17)11-15)32-25-29-22(13-23(30-25)31-8-2-3-9-31)28-21-12-18(14-27-21)16-4-5-16/h3-7,13-17H,8-12,18H2,1-2H3,(H,38,39,40,41);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4,6-8,12-14,20,29H,5,9-11,15-16H2,1-3H3,(H,30,31,32,33);3-4,10-12H,5-9,13-14H2,1-2H3,(H,30,31,32,33);6-7,11-13,16H,2-5,8-10,14H2,1H3,(H,27,28,29,30)/b5-3+;;6-4+;;
InChIKeySJHNEANABRRYPS-AMHDIERXSA-N
MW2531.26 g/mol
LogP27.38
Rot. Bonds27

About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 160851354) has the molecular formula C137H140ClF11N30O5 and a molecular weight of 2531.26 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID160851354
Molecular FormulaC137H140ClF11N30O5
Molecular Weight2531.26 g/mol
Exact Mass2529.11
IUPAC Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(CC)C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCCC4)n3)c2F)C1
InChIInChI=1S/C32H29F5N6O.C28H28FN7O.C27H31ClN6O.C25H26F4N6O.C25H26FN5O/c1-3-5-20-14-27(38-18-20)39-28-17-29(43-10-8-42(9-11-43)22-7-4-6-21(15-22)32(35,36)37)41-31(40-28)44-26-16-25(33)23-12-19(2)13-24(23)30(26)34;1-18-13-20-3-4-23(27(29)22(20)14-18)37-28-33-25(32-24-15-19(2)17-31-24)16-26(34-28)36-11-9-35(10-12-36)21-5-7-30-8-6-21;1-4-6-18-13-23(30-15-18)31-24-14-25(34-10-9-29-20(5-2)16-34)33-27(32-24)35-22-8-7-19-11-17(3)12-21(19)26(22)28;1-15-9-17-3-4-19(23(26)18(17)10-15)36-24-32-21(31-20-11-16(2)13-30-20)12-22(33-24)35-7-5-34(6-8-35)14-25(27,28)29;1-15-10-17-6-7-20(24(26)19(17)11-15)32-25-29-22(13-23(30-25)31-8-2-3-9-31)28-21-12-18(14-27-21)16-4-5-16/h3-7,13-17H,8-12,18H2,1-2H3,(H,38,39,40,41);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4,6-8,12-14,20,29H,5,9-11,15-16H2,1-3H3,(H,30,31,32,33);3-4,10-12H,5-9,13-14H2,1-2H3,(H,30,31,32,33);6-7,11-13,16H,2-5,8-10,14H2,1H3,(H,27,28,29,30)/b5-3+;;6-4+;;
InChIKeySJHNEANABRRYPS-AMHDIERXSA-N
XLogP27.38
TPSA347.84 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.26
LogP ≤ 527.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine
CID 157067013
1-[4-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]acetamide;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-morpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine
CID 157184543
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 157544082
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-piperidin-1-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
CID 157914150
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine;[4-[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]piperazin-1-yl]methanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethylpyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 159028561
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(3-methoxypyrrolidin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 159408447
6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 159735282
N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;6-(3-ethylpiperazin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 159835480
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 159980086
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine;[1-[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]piperidin-4-yl]methanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethylpyrimidine-4,6-diamine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 160632744
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;1-[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]piperidin-4-ol;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine-4,6-diamine;3-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]propanenitrile
CID 160711898
3-[4-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]propanenitrile;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-pyridin-3-ylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 161187902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (CID 160851354) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is C/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(CC)C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCCC4)n3)c2F)C1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is SJHNEANABRRYPS-AMHDIERXSA-N. The full InChI is InChI=1S/C32H29F5N6O.C28H28FN7O.C27H31ClN6O.C25H26F4N6O.C25H26FN5O/c1-3-5-20-14-27(38-18-20)39-28-17-29(43-10-8-42(9-11-43)22-7-4-6-21(15-22)32(35,36)37)41-31(40-28)44-26-16-25(33)23-12-19(2)13-24(23)30(26)34;1-18-13-20-3-4-23(27(29)22(20)14-18)37-28-33-25(32-24-15-19(2)17-31-24)16-26(34-28)36-11-9-35(10-12-36)21-5-7-30-8-6-21;1-4-6-18-13-23(30-15-18)31-24-14-25(34-10-9-29-20(5-2)16-34)33-27(32-24)35-22-8-7-19-11-17(3)12-21(19)26(22)28;1-15-9-17-3-4-19(23(26)18(17)10-15)36-24-32-21(31-20-11-16(2)13-30-20)12-22(33-24)35-7-5-34(6-8-35)14-25(27,28)29;1-15-10-17-6-7-20(24(26)19(17)11-15)32-25-29-22(13-23(30-25)31-8-2-3-9-31)28-21-12-18(14-27-21)16-4-5-16/h3-7,13-17H,8-12,18H2,1-2H3,(H,38,39,40,41);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4,6-8,12-14,20,29H,5,9-11,15-16H2,1-3H3,(H,30,31,32,33);3-4,10-12H,5-9,13-14H2,1-2H3,(H,30,31,32,33);6-7,11-13,16H,2-5,8-10,14H2,1H3,(H,27,28,29,30)/b5-3+;;6-4+;;.
What are the key properties of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 2531.26 g/mol, XLogP of 27.38, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(3-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 160851354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).