3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one

C127H143N27O13S2 — CID 158281795

About 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 158281795) has the molecular formula C127H143N27O13S2 and a molecular weight of 2319.85 g/mol. Its IUPAC name is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

• Compound Name: 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
• PubChem CID: 158281795
• Molecular Formula: C127H143N27O13S2
• Molecular Weight: 2319.85 g/mol
• Exact Mass: 2318.08
• IUPAC Name: 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
• SMILES: CC1(Oc2ccc3c(c2)C(c2cc(N4CC(S(C)(=O)=O)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CC5)CC4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(S(C)(=O)=O)CC4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCOC5(CC5)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1=O
• InChI: InChI=1S/C23H27N5O.C22H24N4O2.C21H25N5O3S.C21H23N5O2.C20H22N4O3S.C20H22N4O2/c1-23(6-7-23)29-18-5-2-16-14-24-22(19(16)12-18)20-13-21(26-15-25-20)28-10-8-27(9-11-28)17-3-4-17;1-21(4-5-21)28-16-3-2-15-12-23-20(17(15)10-16)18-11-19(25-14-24-18)26-8-9-27-22(13-26)6-7-22;1-21(5-6-21)29-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)25-7-9-26(10-8-25)30(2,27)28;1-21(5-6-21)28-15-4-3-14-11-22-20(16(14)9-15)17-10-18(24-13-23-17)26-8-7-25(2)19(27)12-26;1-20(5-6-20)27-14-4-3-13-9-21-19(16(13)7-14)17-8-18(23-12-22-17)24-10-15(11-24)28(2,25)26;1-20(4-5-20)26-15-3-2-14-12-21-19(16(14)10-15)17-11-18(23-13-22-17)24-6-8-25-9-7-24/h2,5,12-13,15,17H,3-4,6-11,14H2,1H3;2-3,10-11,14H,4-9,12-13H2,1H3;3-4,11-12,14H,5-10,13H2,1-2H3;3-4,9-10,13H,5-8,11-12H2,1-2H3;3-4,7-8,12,15H,5-6,9-11H2,1-2H3;2-3,10-11,13H,4-9,12H2,1H3
• InChIKey: GKHPENMLOCJFKX-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 417.19 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.85
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one?

The IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one (CID 158281795) is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one.

What is the SMILES notation for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one?

The canonical SMILES for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one is CC1(Oc2ccc3c(c2)C(c2cc(N4CC(S(C)(=O)=O)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CC5)CC4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(S(C)(=O)=O)CC4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCOC5(CC5)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1=O.

What is the InChIKey of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one?

The InChIKey is GKHPENMLOCJFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C22H24N4O2.C21H25N5O3S.C21H23N5O2.C20H22N4O3S.C20H22N4O2/c1-23(6-7-23)29-18-5-2-16-14-24-22(19(16)12-18)20-13-21(26-15-25-20)28-10-8-27(9-11-28)17-3-4-17;1-21(4-5-21)28-16-3-2-15-12-23-20(17(15)10-16)18-11-19(25-14-24-18)26-8-9-27-22(13-26)6-7-22;1-21(5-6-21)29-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)25-7-9-26(10-8-25)30(2,27)28;1-21(5-6-21)28-15-4-3-14-11-22-20(16(14)9-15)17-10-18(24-13-23-17)26-8-7-25(2)19(27)12-26;1-20(5-6-20)27-14-4-3-13-9-21-19(16(13)7-14)17-8-18(23-12-22-17)24-10-15(11-24)28(2,25)26;1-20(4-5-20)26-15-3-2-14-12-21-19(16(14)10-15)17-11-18(23-13-22-17)24-6-8-25-9-7-24/h2,5,12-13,15,17H,3-4,6-11,14H2,1H3;2-3,10-11,14H,4-9,12-13H2,1H3;3-4,11-12,14H,5-10,13H2,1-2H3;3-4,9-10,13H,5-8,11-12H2,1-2H3;3-4,7-8,12,15H,5-6,9-11H2,1-2H3;2-3,10-11,13H,4-9,12H2,1H3.

What are the key properties of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one?

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 2319.85 g/mol, XLogP of 14.64, 27 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 158281795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).