2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine

C146H154ClF6N33O6 — CID 158543972

IUPAC2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2Cl)C1.CCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1.COCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1
InChIInChI=1S/C30H30ClN7O.2C30H29F2N7O.C28H33FN6O2.C28H33FN6O/c1-19-13-21-6-7-25(29(31)24(21)14-19)39-30-35-27(34-26-15-22(17-33-26)20-4-5-20)16-28(36-30)38-11-9-37(10-12-38)23-3-2-8-32-18-23;1-18-11-22-23(12-18)29(32)25(14-24(22)31)40-30-36-27(35-26-13-20(16-34-26)19-4-5-19)15-28(37-30)39-9-7-38(8-10-39)21-3-2-6-33-17-21;1-18-12-21-22(13-18)29(32)24(15-23(21)31)40-30-36-26(35-25-14-20(17-34-25)19-5-6-19)16-28(37-30)39-10-8-38(9-11-39)27-4-2-3-7-33-27;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-32-25(31-24-15-21(17-30-24)19-3-4-19)16-26(33-28)35-9-7-34(8-10-35)11-12-36-2;1-3-8-34-9-11-35(12-10-34)26-16-25(31-24-15-21(17-30-24)19-4-5-19)32-28(33-26)36-23-7-6-20-13-18(2)14-22(20)27(23)29/h2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);2-3,6,12-15,17,19H,4-5,7-11,16H2,1H3,(H,34,35,36,37);2-4,7,13-16,19H,5-6,8-12,17H2,1H3,(H,34,35,36,37);5-6,14-16,19H,3-4,7-13,17H2,1-2H3,(H,30,31,32,33);6-7,14-16,19H,3-5,8-13,17H2,1-2H3,(H,30,31,32,33)
InChIKeyHOWJDKZJCFNFRG-UHFFFAOYSA-N
MW2616.50 g/mol
LogP25.90
Rot. Bonds33

About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine

2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 158543972) has the molecular formula C146H154ClF6N33O6 and a molecular weight of 2616.50 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID158543972
Molecular FormulaC146H154ClF6N33O6
Molecular Weight2616.50 g/mol
Exact Mass2614.24
IUPAC Name2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2Cl)C1.CCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1.COCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1
InChIInChI=1S/C30H30ClN7O.2C30H29F2N7O.C28H33FN6O2.C28H33FN6O/c1-19-13-21-6-7-25(29(31)24(21)14-19)39-30-35-27(34-26-15-22(17-33-26)20-4-5-20)16-28(36-30)38-11-9-37(10-12-38)23-3-2-8-32-18-23;1-18-11-22-23(12-18)29(32)25(14-24(22)31)40-30-36-27(35-26-13-20(16-34-26)19-4-5-19)15-28(37-30)39-9-7-38(8-10-39)21-3-2-6-33-17-21;1-18-12-21-22(13-18)29(32)24(15-23(21)31)40-30-36-26(35-25-14-20(17-34-25)19-5-6-19)16-28(37-30)39-10-8-38(9-11-39)27-4-2-3-7-33-27;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-32-25(31-24-15-21(17-30-24)19-3-4-19)16-26(33-28)35-9-7-34(8-10-35)11-12-36-2;1-3-8-34-9-11-35(12-10-34)26-16-25(31-24-15-21(17-30-24)19-4-5-19)32-28(33-26)36-23-7-6-20-13-18(2)14-22(20)27(23)29/h2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);2-3,6,12-15,17,19H,4-5,7-11,16H2,1H3,(H,34,35,36,37);2-4,7,13-16,19H,5-6,8-12,17H2,1H3,(H,34,35,36,37);5-6,14-16,19H,3-4,7-13,17H2,1-2H3,(H,30,31,32,33);6-7,14-16,19H,3-5,8-13,17H2,1-2H3,(H,30,31,32,33)
InChIKeyHOWJDKZJCFNFRG-UHFFFAOYSA-N
XLogP25.90
TPSA377.30 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002616.50
LogP ≤ 525.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

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-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-[(4,7-difluoro-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;6-(4-ethylpiperazin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-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-phenylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-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]-6-morpholin-4-yl-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 159219251
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine (CID 158543972) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine is CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)cc(F)c2C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2Cl)C1.CCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1.COCCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)CC1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HOWJDKZJCFNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O.2C30H29F2N7O.C28H33FN6O2.C28H33FN6O/c1-19-13-21-6-7-25(29(31)24(21)14-19)39-30-35-27(34-26-15-22(17-33-26)20-4-5-20)16-28(36-30)38-11-9-37(10-12-38)23-3-2-8-32-18-23;1-18-11-22-23(12-18)29(32)25(14-24(22)31)40-30-36-27(35-26-13-20(16-34-26)19-4-5-19)15-28(37-30)39-9-7-38(8-10-39)21-3-2-6-33-17-21;1-18-12-21-22(13-18)29(32)24(15-23(21)31)40-30-36-26(35-25-14-20(17-34-25)19-5-6-19)16-28(37-30)39-10-8-38(9-11-39)27-4-2-3-7-33-27;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-32-25(31-24-15-21(17-30-24)19-3-4-19)16-26(33-28)35-9-7-34(8-10-35)11-12-36-2;1-3-8-34-9-11-35(12-10-34)26-16-25(31-24-15-21(17-30-24)19-4-5-19)32-28(33-26)36-23-7-6-20-13-18(2)14-22(20)27(23)29/h2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);2-3,6,12-15,17,19H,4-5,7-11,16H2,1H3,(H,34,35,36,37);2-4,7,13-16,19H,5-6,8-12,17H2,1H3,(H,34,35,36,37);5-6,14-16,19H,3-4,7-13,17H2,1-2H3,(H,30,31,32,33);6-7,14-16,19H,3-5,8-13,17H2,1-2H3,(H,30,31,32,33).
What are the key properties of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 2616.50 g/mol, XLogP of 25.90, 33 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-3-ylpiperazin-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-pyridin-2-ylpiperazin-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-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-(2-methoxyethyl)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-propylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 158543972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).