(3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine

C67H75F3N16O7 — CID 160530318

About (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine

(3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine (PubChem CID 160530318) has the molecular formula C67H75F3N16O7 and a molecular weight of 1273.44 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine
• PubChem CID: 160530318
• Molecular Formula: C67H75F3N16O7
• Molecular Weight: 1273.44 g/mol
• Exact Mass: 1272.60
• IUPAC Name: (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine
• SMILES: CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C(=O)C3(C)COC3)CC2)c1.Cc1ccn(CC(=O)N2CCN(c3cc(C4=NCc5cnc(OC(C)C)cc54)ccn3)CC2)n1.FC(F)(F)COc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1
• InChI: InChI=1S/C25H29N7O2.C24H29N5O3.C18H17F3N4O2/c1-17(2)34-23-13-21-20(14-27-23)15-28-25(21)19-4-6-26-22(12-19)30-8-10-31(11-9-30)24(33)16-32-7-5-18(3)29-32;1-16(2)32-21-11-19-18(12-26-21)13-27-22(19)17-4-5-25-20(10-17)28-6-8-29(9-7-28)23(30)24(3)14-31-15-24;19-18(20,21)11-27-16-8-14-13(9-23-16)10-24-17(14)12-1-2-22-15(7-12)25-3-5-26-6-4-25/h4-7,12-14,17H,8-11,15-16H2,1-3H3;4-5,10-12,16H,6-9,13-15H2,1-3H3;1-2,7-9H,3-6,10-11H2
• InChIKey: QVLJNTYTDCVSSC-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 228.73 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.44
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine?

The IUPAC name of (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine (CID 160530318) is (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine?

The canonical SMILES for (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine is CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C(=O)C3(C)COC3)CC2)c1.Cc1ccn(CC(=O)N2CCN(c3cc(C4=NCc5cnc(OC(C)C)cc54)ccn3)CC2)n1.FC(F)(F)COc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1.

What is the InChIKey of (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine?

The InChIKey is QVLJNTYTDCVSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C24H29N5O3.C18H17F3N4O2/c1-17(2)34-23-13-21-20(14-27-23)15-28-25(21)19-4-6-26-22(12-19)30-8-10-31(11-9-30)24(33)16-32-7-5-18(3)29-32;1-16(2)32-21-11-19-18(12-26-21)13-27-22(19)17-4-5-25-20(10-17)28-6-8-29(9-7-28)23(30)24(3)14-31-15-24;19-18(20,21)11-27-16-8-14-13(9-23-16)10-24-17(14)12-1-2-22-15(7-12)25-3-5-26-6-4-25/h4-7,12-14,17H,8-11,15-16H2,1-3H3;4-5,10-12,16H,6-9,13-15H2,1-3H3;1-2,7-9H,3-6,10-11H2.

What are the key properties of (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine?

(3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine has a molecular weight of 1273.44 g/mol, XLogP of 7.37, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyloxetan-3-yl)-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]methanone;2-(3-methylpyrazol-1-yl)-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;4-[4-[6-(2,2,2-trifluoroethoxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 160530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).