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

C138H138Cl2F7N29O6 — CID 160711898

IUPAC2-[(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
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(CCC#N)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(N)cc(NC4=NCC(C5CC5)=C4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCC(O)CC4)n3)c2F)C1
InChIInChI=1S/C32H30ClF3N6O.C31H31ClN6O.C28H29F2N7O.C26H28FN5O2.C21H20FN5O/c1-3-5-21-16-27(37-19-21)38-28-18-29(40-31(39-28)43-26-9-8-22-14-20(2)15-25(22)30(26)33)42-12-10-41(11-13-42)24-7-4-6-23(17-24)32(34,35)36;1-3-7-22-18-27(33-20-22)34-28-19-29(38-14-12-37(13-15-38)24-8-5-4-6-9-24)36-31(35-28)39-26-11-10-23-16-21(2)17-25(23)30(26)32;1-3-5-19-14-24(32-17-19)33-25-16-26(37-10-8-36(9-11-37)7-4-6-31)35-28(34-25)38-23-15-22(29)20-12-18(2)13-21(20)27(23)30;1-15-10-17-4-5-21(25(27)20(17)11-15)34-26-30-23(29-22-12-18(14-28-22)16-2-3-16)13-24(31-26)32-8-6-19(33)7-9-32;1-11-6-13-4-5-16(20(22)15(13)7-11)28-21-25-17(23)9-19(27-21)26-18-8-14(10-24-18)12-2-3-12/h3-9,15-18H,10-14,19H2,1-2H3,(H,37,38,39,40);3-11,17-19H,12-16,20H2,1-2H3,(H,33,34,35,36);3,5,13-16H,4,7-12,17H2,1-2H3,(H,32,33,34,35);4-5,11-13,16,19,33H,2-3,6-10,14H2,1H3,(H,28,29,30,31);4-5,7-9,12H,2-3,6,10H2,1H3,(H3,23,24,25,26,27)/b5-3+;7-3+;5-3+;;
InChIKeyRRYVEVXLGASDEP-TUYHXCNTSA-N
MW2502.71 g/mol
LogP27.56
Rot. Bonds28

About 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

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 (PubChem CID 160711898) has the molecular formula C138H138Cl2F7N29O6 and a molecular weight of 2502.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID160711898
Molecular FormulaC138H138Cl2F7N29O6
Molecular Weight2502.71 g/mol
Exact Mass2500.07
IUPAC Name2-[(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
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(CCC#N)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(N)cc(NC4=NCC(C5CC5)=C4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCC(O)CC4)n3)c2F)C1
InChIInChI=1S/C32H30ClF3N6O.C31H31ClN6O.C28H29F2N7O.C26H28FN5O2.C21H20FN5O/c1-3-5-21-16-27(37-19-21)38-28-18-29(40-31(39-28)43-26-9-8-22-14-20(2)15-25(22)30(26)33)42-12-10-41(11-13-42)24-7-4-6-23(17-24)32(34,35)36;1-3-7-22-18-27(33-20-22)34-28-19-29(38-14-12-37(13-15-38)24-8-5-4-6-9-24)36-31(35-28)39-26-11-10-23-16-21(2)17-25(23)30(26)32;1-3-5-19-14-24(32-17-19)33-25-16-26(37-10-8-36(9-11-37)7-4-6-31)35-28(34-25)38-23-15-22(29)20-12-18(2)13-21(20)27(23)30;1-15-10-17-4-5-21(25(27)20(17)11-15)34-26-30-23(29-22-12-18(14-28-22)16-2-3-16)13-24(31-26)32-8-6-19(33)7-9-32;1-11-6-13-4-5-16(20(22)15(13)7-11)28-21-25-17(23)9-19(27-21)26-18-8-14(10-24-18)12-2-3-12/h3-9,15-18H,10-14,19H2,1-2H3,(H,37,38,39,40);3-11,17-19H,12-16,20H2,1-2H3,(H,33,34,35,36);3,5,13-16H,4,7-12,17H2,1-2H3,(H,32,33,34,35);4-5,11-13,16,19,33H,2-3,6-10,14H2,1H3,(H,28,29,30,31);4-5,7-9,12H,2-3,6,10H2,1H3,(H3,23,24,25,26,27)/b5-3+;7-3+;5-3+;;
InChIKeyRRYVEVXLGASDEP-TUYHXCNTSA-N
XLogP27.56
TPSA389.72 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002502.71
LogP ≤ 527.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/C1=CC(Nc2cc(N3CCN(CCC#N)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(N)cc(NC4=NCC(C5CC5)=C4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCC(O)CC4)n3)c2F)C1.
What is the InChIKey of 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?
The InChIKey is RRYVEVXLGASDEP-TUYHXCNTSA-N. The full InChI is InChI=1S/C32H30ClF3N6O.C31H31ClN6O.C28H29F2N7O.C26H28FN5O2.C21H20FN5O/c1-3-5-21-16-27(37-19-21)38-28-18-29(40-31(39-28)43-26-9-8-22-14-20(2)15-25(22)30(26)33)42-12-10-41(11-13-42)24-7-4-6-23(17-24)32(34,35)36;1-3-7-22-18-27(33-20-22)34-28-19-29(38-14-12-37(13-15-38)24-8-5-4-6-9-24)36-31(35-28)39-26-11-10-23-16-21(2)17-25(23)30(26)32;1-3-5-19-14-24(32-17-19)33-25-16-26(37-10-8-36(9-11-37)7-4-6-31)35-28(34-25)38-23-15-22(29)20-12-18(2)13-21(20)27(23)30;1-15-10-17-4-5-21(25(27)20(17)11-15)34-26-30-23(29-22-12-18(14-28-22)16-2-3-16)13-24(31-26)32-8-6-19(33)7-9-32;1-11-6-13-4-5-16(20(22)15(13)7-11)28-21-25-17(23)9-19(27-21)26-18-8-14(10-24-18)12-2-3-12/h3-9,15-18H,10-14,19H2,1-2H3,(H,37,38,39,40);3-11,17-19H,12-16,20H2,1-2H3,(H,33,34,35,36);3,5,13-16H,4,7-12,17H2,1-2H3,(H,32,33,34,35);4-5,11-13,16,19,33H,2-3,6-10,14H2,1H3,(H,28,29,30,31);4-5,7-9,12H,2-3,6,10H2,1H3,(H3,23,24,25,26,27)/b5-3+;7-3+;5-3+;;.
What are the key properties of 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?
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 has a molecular weight of 2502.71 g/mol, XLogP of 27.56, 28 rotatable bonds, 7 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-(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 is sourced from PubChem (CID 160711898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).