2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

C120H134F4N26O10S2 — CID 159436890

About 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 159436890) has the molecular formula C120H134F4N26O10S2 and a molecular weight of 2240.69 g/mol. Its IUPAC name is 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
• PubChem CID: 159436890
• Molecular Formula: C120H134F4N26O10S2
• Molecular Weight: 2240.69 g/mol
• Exact Mass: 2239.02
• IUPAC Name: 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
• SMILES: CC(C)Oc1ccc2c(c1)C(c1cc(N3CC(F)(F)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CC(S(C)(=O)=O)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCS(=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCc4oc(C5CC5)nc4C3)ncn1)=NC2
• InChI: InChI=1S/C24H25N5O2.C20H22F2N4O.C20H25N5O.C19H22N4O3S.C19H22N4O2S.C18H18F2N4O/c1-14(2)30-17-6-5-16-11-25-23(18(16)9-17)19-10-22(27-13-26-19)29-8-7-21-20(12-29)28-24(31-21)15-3-4-15;1-13(2)27-15-4-3-14-11-23-19(16(14)9-15)17-10-18(25-12-24-17)26-7-5-20(21,22)6-8-26;1-14(2)26-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)25-8-6-24(3)7-9-25;1-12(2)26-14-5-4-13-8-20-19(16(13)6-14)17-7-18(22-11-21-17)23-9-15(10-23)27(3,24)25;1-13(2)25-15-4-3-14-11-20-19(16(14)9-15)17-10-18(22-12-21-17)23-5-7-26(24)8-6-23;1-11(2)25-13-4-3-12-7-21-17(14(12)5-13)15-6-16(23-10-22-15)24-8-18(19,20)9-24/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-7,11-12,15H,8-10H2,1-3H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;3-6,10-11H,7-9H2,1-2H3
• InChIKey: LRROERHNWUMETB-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 384.14 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.69
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?

The IUPAC name of 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (CID 159436890) is 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

What is the SMILES notation for 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?

The canonical SMILES for 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is CC(C)Oc1ccc2c(c1)C(c1cc(N3CC(F)(F)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CC(S(C)(=O)=O)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCS(=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCc4oc(C5CC5)nc4C3)ncn1)=NC2.

What is the InChIKey of 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?

The InChIKey is LRROERHNWUMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C20H22F2N4O.C20H25N5O.C19H22N4O3S.C19H22N4O2S.C18H18F2N4O/c1-14(2)30-17-6-5-16-11-25-23(18(16)9-17)19-10-22(27-13-26-19)29-8-7-21-20(12-29)28-24(31-21)15-3-4-15;1-13(2)27-15-4-3-14-11-23-19(16(14)9-15)17-10-18(25-12-24-17)26-7-5-20(21,22)6-8-26;1-14(2)26-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)25-8-6-24(3)7-9-25;1-12(2)26-14-5-4-13-8-20-19(16(13)6-14)17-7-18(22-11-21-17)23-9-15(10-23)27(3,24)25;1-13(2)25-15-4-3-14-11-20-19(16(14)9-15)17-10-18(22-12-21-17)23-5-7-26(24)8-6-23;1-11(2)25-13-4-3-12-7-21-17(14(12)5-13)15-6-16(23-10-22-15)24-8-18(19,20)9-24/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-7,11-12,15H,8-10H2,1-3H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;3-6,10-11H,7-9H2,1-2H3.

What are the key properties of 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?

2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 2240.69 g/mol, XLogP of 17.36, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 159436890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).