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

C145H146ClF7N32O7S — CID 161187902

IUPAC3-[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
SMILESC/C=C/C1=CC(Nc2cc(N3CCS(=O)(=O)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CCC#N)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccncc5)CC4)n3)c2F)C1
InChIInChI=1S/C32H30F4N6O.2C30H30FN7O.C28H30ClN7O.C25H26FN5O3S/c1-19-13-21-7-8-26(30(33)25(21)14-19)43-31-39-28(38-27-15-22(18-37-27)20-5-6-20)17-29(40-31)42-11-9-41(10-12-42)24-4-2-3-23(16-24)32(34,35)36;1-19-14-21-4-5-25(29(31)24(21)15-19)39-30-35-27(34-26-16-22(18-33-26)20-2-3-20)17-28(36-30)38-12-10-37(11-13-38)23-6-8-32-9-7-23;1-19-13-21-6-7-25(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;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-33-25(32-24-15-21(17-31-24)19-3-4-19)16-26(34-28)36-11-9-35(10-12-36)8-2-7-30;1-3-4-17-13-21(27-15-17)28-22-14-23(31-7-9-35(32,33)10-8-31)30-25(29-22)34-20-6-5-18-11-16(2)12-19(18)24(20)26/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);4-9,15-17,20H,2-3,10-14,18H2,1H3,(H,33,34,35,36);2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);5-6,14-16,19H,2-4,8-13,17H2,1H3,(H,31,32,33,34);3-6,12-14H,7-11,15H2,1-2H3,(H,27,28,29,30)/b;;;;4-3+
InChIKeyUTIGBCVAHPFHBR-ZLKYYWLCSA-N
MW2649.49 g/mol
LogP26.38
Rot. Bonds30

About 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

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 (PubChem CID 161187902) has the molecular formula C145H146ClF7N32O7S and a molecular weight of 2649.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID161187902
Molecular FormulaC145H146ClF7N32O7S
Molecular Weight2649.49 g/mol
Exact Mass2647.13
IUPAC Name3-[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
SMILESC/C=C/C1=CC(Nc2cc(N3CCS(=O)(=O)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CCC#N)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccncc5)CC4)n3)c2F)C1
InChIInChI=1S/C32H30F4N6O.2C30H30FN7O.C28H30ClN7O.C25H26FN5O3S/c1-19-13-21-7-8-26(30(33)25(21)14-19)43-31-39-28(38-27-15-22(18-37-27)20-5-6-20)17-29(40-31)42-11-9-41(10-12-42)24-4-2-3-23(16-24)32(34,35)36;1-19-14-21-4-5-25(29(31)24(21)15-19)39-30-35-27(34-26-16-22(18-33-26)20-2-3-20)17-28(36-30)38-12-10-37(11-13-38)23-6-8-32-9-7-23;1-19-13-21-6-7-25(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;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-33-25(32-24-15-21(17-31-24)19-3-4-19)16-26(34-28)36-11-9-35(10-12-36)8-2-7-30;1-3-4-17-13-21(27-15-17)28-22-14-23(31-7-9-35(32,33)10-8-31)30-25(29-22)34-20-6-5-18-11-16(2)12-19(18)24(20)26/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);4-9,15-17,20H,2-3,10-14,18H2,1H3,(H,33,34,35,36);2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);5-6,14-16,19H,2-4,8-13,17H2,1H3,(H,31,32,33,34);3-6,12-14H,7-11,15H2,1-2H3,(H,27,28,29,30)/b;;;;4-3+
InChIKeyUTIGBCVAHPFHBR-ZLKYYWLCSA-N
XLogP26.38
TPSA409.87 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.49
LogP ≤ 526.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/C1=CC(Nc2cc(N3CCS(=O)(=O)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CCC#N)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccnc5)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccncc5)CC4)n3)c2F)C1.
What is the InChIKey of 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?
The InChIKey is UTIGBCVAHPFHBR-ZLKYYWLCSA-N. The full InChI is InChI=1S/C32H30F4N6O.2C30H30FN7O.C28H30ClN7O.C25H26FN5O3S/c1-19-13-21-7-8-26(30(33)25(21)14-19)43-31-39-28(38-27-15-22(18-37-27)20-5-6-20)17-29(40-31)42-11-9-41(10-12-42)24-4-2-3-23(16-24)32(34,35)36;1-19-14-21-4-5-25(29(31)24(21)15-19)39-30-35-27(34-26-16-22(18-33-26)20-2-3-20)17-28(36-30)38-12-10-37(11-13-38)23-6-8-32-9-7-23;1-19-13-21-6-7-25(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;1-18-13-20-5-6-23(27(29)22(20)14-18)37-28-33-25(32-24-15-21(17-31-24)19-3-4-19)16-26(34-28)36-11-9-35(10-12-36)8-2-7-30;1-3-4-17-13-21(27-15-17)28-22-14-23(31-7-9-35(32,33)10-8-31)30-25(29-22)34-20-6-5-18-11-16(2)12-19(18)24(20)26/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);4-9,15-17,20H,2-3,10-14,18H2,1H3,(H,33,34,35,36);2-3,6-8,14-16,18,20H,4-5,9-13,17H2,1H3,(H,33,34,35,36);5-6,14-16,19H,2-4,8-13,17H2,1H3,(H,31,32,33,34);3-6,12-14H,7-11,15H2,1-2H3,(H,27,28,29,30)/b;;;;4-3+.
What are the key properties of 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?
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 has a molecular weight of 2649.49 g/mol, XLogP of 26.38, 30 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161187902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).