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

C144H144Cl3F5N32O6 — CID 159408447

IUPAC2-[(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
SMILESC/C=C/C1=CC(Nc2cc(N3CCC(OC)C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4cccnc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)c2F)C1
InChIInChI=1S/C32H30ClF3N6O.C30H30FN7O.2C28H28ClN7O.C26H28FN5O2/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;1-19-14-21-7-8-24(29(31)23(21)15-19)39-30-35-26(34-25-16-22(18-33-25)20-5-6-20)17-28(36-30)38-12-10-37(11-13-38)27-4-2-3-9-32-27;1-18-12-20-5-6-23(27(29)22(20)13-18)37-28-33-25(32-24-14-19(2)16-31-24)15-26(34-28)36-10-8-35(9-11-36)21-4-3-7-30-17-21;1-18-13-20-6-7-22(27(29)21(20)14-18)37-28-33-24(32-23-15-19(2)17-31-23)16-26(34-28)36-11-9-35(10-12-36)25-5-3-4-8-30-25;1-4-5-17-12-22(28-14-17)29-23-13-24(32-9-8-19(15-32)33-3)31-26(30-23)34-21-7-6-18-10-16(2)11-20(18)25(21)27/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);2-4,7-9,15-17,20H,5-6,10-14,18H2,1H3,(H,33,34,35,36);3-7,13-15,17H,8-12,16H2,1-2H3,(H,31,32,33,34);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4-7,11-13,19H,8-10,14-15H2,1-3H3,(H,28,29,30,31)/b;;;;5-4+
InChIKeyLOGOYYAKKHGEGS-LBOAFHOISA-N
MW2620.30 g/mol
LogP28.30
Rot. Bonds28

About 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

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 (PubChem CID 159408447) has the molecular formula C144H144Cl3F5N32O6 and a molecular weight of 2620.30 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-[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.

Molecular Properties

Compound Name2-[(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
PubChem CID159408447
Molecular FormulaC144H144Cl3F5N32O6
Molecular Weight2620.30 g/mol
Exact Mass2617.09
IUPAC Name2-[(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
SMILESC/C=C/C1=CC(Nc2cc(N3CCC(OC)C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4cccnc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)c2F)C1
InChIInChI=1S/C32H30ClF3N6O.C30H30FN7O.2C28H28ClN7O.C26H28FN5O2/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;1-19-14-21-7-8-24(29(31)23(21)15-19)39-30-35-26(34-25-16-22(18-33-25)20-5-6-20)17-28(36-30)38-12-10-37(11-13-38)27-4-2-3-9-32-27;1-18-12-20-5-6-23(27(29)22(20)13-18)37-28-33-25(32-24-14-19(2)16-31-24)15-26(34-28)36-10-8-35(9-11-36)21-4-3-7-30-17-21;1-18-13-20-6-7-22(27(29)21(20)14-18)37-28-33-24(32-23-15-19(2)17-31-23)16-26(34-28)36-11-9-35(10-12-36)25-5-3-4-8-30-25;1-4-5-17-12-22(28-14-17)29-23-13-24(32-9-8-19(15-32)33-3)31-26(30-23)34-21-7-6-18-10-16(2)11-20(18)25(21)27/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);2-4,7-9,15-17,20H,5-6,10-14,18H2,1H3,(H,33,34,35,36);3-7,13-15,17H,8-12,16H2,1-2H3,(H,31,32,33,34);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4-7,11-13,19H,8-10,14-15H2,1-3H3,(H,28,29,30,31)/b;;;;5-4+
InChIKeyLOGOYYAKKHGEGS-LBOAFHOISA-N
XLogP28.30
TPSA374.06 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002620.30
LogP ≤ 528.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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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-[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?
The IUPAC name of 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) is 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.
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-[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?
The canonical SMILES for 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 is C/C=C/C1=CC(Nc2cc(N3CCC(OC)C3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4cccnc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)c2Cl)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccccn5)CC4)n3)c2F)C1.
What is the InChIKey of 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?
The InChIKey is LOGOYYAKKHGEGS-LBOAFHOISA-N. The full InChI is InChI=1S/C32H30ClF3N6O.C30H30FN7O.2C28H28ClN7O.C26H28FN5O2/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;1-19-14-21-7-8-24(29(31)23(21)15-19)39-30-35-26(34-25-16-22(18-33-25)20-5-6-20)17-28(36-30)38-12-10-37(11-13-38)27-4-2-3-9-32-27;1-18-12-20-5-6-23(27(29)22(20)13-18)37-28-33-25(32-24-14-19(2)16-31-24)15-26(34-28)36-10-8-35(9-11-36)21-4-3-7-30-17-21;1-18-13-20-6-7-22(27(29)21(20)14-18)37-28-33-24(32-23-15-19(2)17-31-23)16-26(34-28)36-11-9-35(10-12-36)25-5-3-4-8-30-25;1-4-5-17-12-22(28-14-17)29-23-13-24(32-9-8-19(15-32)33-3)31-26(30-23)34-21-7-6-18-10-16(2)11-20(18)25(21)27/h2-4,7-8,14-17,20H,5-6,9-13,18H2,1H3,(H,37,38,39,40);2-4,7-9,15-17,20H,5-6,10-14,18H2,1H3,(H,33,34,35,36);3-7,13-15,17H,8-12,16H2,1-2H3,(H,31,32,33,34);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4-7,11-13,19H,8-10,14-15H2,1-3H3,(H,28,29,30,31)/b;;;;5-4+.
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-[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?
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 has a molecular weight of 2620.30 g/mol, XLogP of 28.30, 28 rotatable bonds, 5 hydrogen bond donors, and 38 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-[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 is sourced from PubChem (CID 159408447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).