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

C142H144ClF9N30O8 — CID 157184543

IUPAC1-[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
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC(=O)N1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)CC1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CC(N)=O)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCOCC4)n3)cc(F)c2C1
InChIInChI=1S/C32H30F4N6O.C31H31FN6O.C27H29ClN6O2.C27H29F2N7O2.C25H25F2N5O2/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;1-16-11-19-5-6-22(26(28)21(19)12-16)36-27-31-24(30-23-13-20(15-29-23)18-3-4-18)14-25(32-27)34-9-7-33(8-10-34)17(2)35;1-15-8-18-19(9-15)26(29)21(11-20(18)28)38-27-33-24(32-23-10-17(13-31-23)16-2-3-16)12-25(34-27)36-6-4-35(5-7-36)14-22(30)37;1-14-8-17-18(9-14)24(27)20(11-19(17)26)34-25-30-22(12-23(31-25)32-4-6-33-7-5-32)29-21-10-16(13-28-21)15-2-3-15/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);5-6,12-14,18H,3-4,7-11,15H2,1-2H3,(H,29,30,31,32);9-12,16H,2-8,13-14H2,1H3,(H2,30,37)(H,31,32,33,34);9-12,15H,2-8,13H2,1H3,(H,28,29,30,31)/b5-3+;7-3+;;;
InChIKeyAOYSEIBAXNBKTN-WDEAIEJTSA-N
MW2605.35 g/mol
LogP25.55
Rot. Bonds29

About 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

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 (PubChem CID 157184543) has the molecular formula C142H144ClF9N30O8 and a molecular weight of 2605.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157184543
Molecular FormulaC142H144ClF9N30O8
Molecular Weight2605.35 g/mol
Exact Mass2603.13
IUPAC Name1-[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
SMILESC/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC(=O)N1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)CC1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CC(N)=O)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCOCC4)n3)cc(F)c2C1
InChIInChI=1S/C32H30F4N6O.C31H31FN6O.C27H29ClN6O2.C27H29F2N7O2.C25H25F2N5O2/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;1-16-11-19-5-6-22(26(28)21(19)12-16)36-27-31-24(30-23-13-20(15-29-23)18-3-4-18)14-25(32-27)34-9-7-33(8-10-34)17(2)35;1-15-8-18-19(9-15)26(29)21(11-20(18)28)38-27-33-24(32-23-10-17(13-31-23)16-2-3-16)12-25(34-27)36-6-4-35(5-7-36)14-22(30)37;1-14-8-17-18(9-14)24(27)20(11-19(17)26)34-25-30-22(12-23(31-25)32-4-6-33-7-5-32)29-21-10-16(13-28-21)15-2-3-15/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);5-6,12-14,18H,3-4,7-11,15H2,1-2H3,(H,29,30,31,32);9-12,16H,2-8,13-14H2,1H3,(H2,30,37)(H,31,32,33,34);9-12,15H,2-8,13H2,1H3,(H,28,29,30,31)/b5-3+;7-3+;;;
InChIKeyAOYSEIBAXNBKTN-WDEAIEJTSA-N
XLogP25.55
TPSA395.55 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002605.35
LogP ≤ 525.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/C1=CC(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccccc4)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC(=O)N1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)CC1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CC(N)=O)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCOCC4)n3)cc(F)c2C1.
What is the InChIKey of 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?
The InChIKey is AOYSEIBAXNBKTN-WDEAIEJTSA-N. The full InChI is InChI=1S/C32H30F4N6O.C31H31FN6O.C27H29ClN6O2.C27H29F2N7O2.C25H25F2N5O2/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;1-16-11-19-5-6-22(26(28)21(19)12-16)36-27-31-24(30-23-13-20(15-29-23)18-3-4-18)14-25(32-27)34-9-7-33(8-10-34)17(2)35;1-15-8-18-19(9-15)26(29)21(11-20(18)28)38-27-33-24(32-23-10-17(13-31-23)16-2-3-16)12-25(34-27)36-6-4-35(5-7-36)14-22(30)37;1-14-8-17-18(9-14)24(27)20(11-19(17)26)34-25-30-22(12-23(31-25)32-4-6-33-7-5-32)29-21-10-16(13-28-21)15-2-3-15/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);5-6,12-14,18H,3-4,7-11,15H2,1-2H3,(H,29,30,31,32);9-12,16H,2-8,13-14H2,1H3,(H2,30,37)(H,31,32,33,34);9-12,15H,2-8,13H2,1H3,(H,28,29,30,31)/b5-3+;7-3+;;;.
What are the key properties of 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?
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 has a molecular weight of 2605.35 g/mol, XLogP of 25.55, 29 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157184543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).