2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine

C129H139ClF7N27O5S — CID 158091878

About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (PubChem CID 158091878) has the molecular formula C129H139ClF7N27O5S and a molecular weight of 2348.22 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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
• PubChem CID: 158091878
• Molecular Formula: C129H139ClF7N27O5S
• Molecular Weight: 2348.22 g/mol
• Exact Mass: 2346.07
• IUPAC Name: 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
• SMILES: C/C=C/C1=CC(Nc2cc(N3CCC(F)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(C(C)C)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C=CCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)CC1.CC1=CC(Nc2cc(N3CCC(F)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCSCC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1
• InChI: InChI=1S/C28H31ClN6O.C28H33FN6O.C26H26F3N5O.C24H25F2N5O.C23H24FN5OS/c1-3-8-34-9-11-35(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;1-5-6-20-15-24(30-17-20)31-25-16-26(35-11-9-34(10-12-35)18(2)3)33-28(32-25)36-23-8-7-21-13-19(4)14-22(21)27(23)29;1-3-4-16-11-22(30-14-16)31-23-13-24(34-7-5-17(27)6-8-34)33-26(32-23)35-21-12-20(28)18-9-15(2)10-19(18)25(21)29;1-14-9-16-3-4-19(23(26)18(16)10-14)32-24-29-21(28-20-11-15(2)13-27-20)12-22(30-24)31-7-5-17(25)6-8-31;1-14-9-16-3-4-18(22(24)17(16)10-14)30-23-27-20(26-19-11-15(2)13-25-19)12-21(28-23)29-5-7-31-8-6-29/h3,6-7,14-16,19H,1,4-5,8-13,17H2,2H3,(H,30,31,32,33);5-8,14-16,18H,9-13,17H2,1-4H3,(H,30,31,32,33);3-4,10-13,17H,5-9,14H2,1-2H3,(H,30,31,32,33);3-4,10-12,17H,5-9,13H2,1-2H3,(H,27,28,29,30);3-4,10-12H,5-9,13H2,1-2H3,(H,25,26,27,28)/b;6-5+;4-3+
• InChIKey: FOEXXISSLLDUPJ-UZFNBSNPSA-N
• XLogP: 26.11
• TPSA: 319.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.22
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine (CID 158091878) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is C/C=C/C1=CC(Nc2cc(N3CCC(F)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(C(C)C)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C=CCN1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)CC1.CC1=CC(Nc2cc(N3CCC(F)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCSCC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.

What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine?

The InChIKey is FOEXXISSLLDUPJ-UZFNBSNPSA-N. The full InChI is InChI=1S/C28H31ClN6O.C28H33FN6O.C26H26F3N5O.C24H25F2N5O.C23H24FN5OS/c1-3-8-34-9-11-35(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;1-5-6-20-15-24(30-17-20)31-25-16-26(35-11-9-34(10-12-35)18(2)3)33-28(32-25)36-23-8-7-21-13-19(4)14-22(21)27(23)29;1-3-4-16-11-22(30-14-16)31-23-13-24(34-7-5-17(27)6-8-34)33-26(32-23)35-21-12-20(28)18-9-15(2)10-19(18)25(21)29;1-14-9-16-3-4-19(23(26)18(16)10-14)32-24-29-21(28-20-11-15(2)13-27-20)12-22(30-24)31-7-5-17(25)6-8-31;1-14-9-16-3-4-18(22(24)17(16)10-14)30-23-27-20(26-19-11-15(2)13-25-19)12-21(28-23)29-5-7-31-8-6-29/h3,6-7,14-16,19H,1,4-5,8-13,17H2,2H3,(H,30,31,32,33);5-8,14-16,18H,9-13,17H2,1-4H3,(H,30,31,32,33);3-4,10-13,17H,5-9,14H2,1-2H3,(H,30,31,32,33);3-4,10-12,17H,5-9,13H2,1-2H3,(H,27,28,29,30);3-4,10-12H,5-9,13H2,1-2H3,(H,25,26,27,28)/b;6-5+;4-3+;;.

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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine has a molecular weight of 2348.22 g/mol, XLogP of 26.11, 26 rotatable bonds, 5 hydrogen bond donors, and 33 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-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-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]-6-(4-fluoropiperidin-1-yl)-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-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 158091878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).