4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine

C35H37N9O4 — CID 158678811

About 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine

4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine (PubChem CID 158678811) has the molecular formula C35H37N9O4 and a molecular weight of 647.74 g/mol. Its IUPAC name is 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
• PubChem CID: 158678811
• Molecular Formula: C35H37N9O4
• Molecular Weight: 647.74 g/mol
• Exact Mass: 647.30
• IUPAC Name: 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
• SMILES: COc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C)C(=O)C2)c1.COc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1
• InChI: InChI=1S/C18H19N5O2.C17H18N4O2/c1-22-5-6-23(11-17(22)24)15-7-12(3-4-19-15)18-14-8-16(25-2)20-9-13(14)10-21-18;1-22-16-9-14-13(10-19-16)11-20-17(14)12-2-3-18-15(8-12)21-4-6-23-7-5-21/h3-4,7-9H,5-6,10-11H2,1-2H3;2-3,8-10H,4-7,11H2,1H3
• InChIKey: IEVXTFLQMFKDTJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 130.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.74
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?

The IUPAC name of 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine (CID 158678811) is 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine is COc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C)C(=O)C2)c1.COc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?

The InChIKey is IEVXTFLQMFKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C17H18N4O2/c1-22-5-6-23(11-17(22)24)15-7-12(3-4-19-15)18-14-8-16(25-2)20-9-13(14)10-21-18;1-22-16-9-14-13(10-19-16)11-20-17(14)12-2-3-18-15(8-12)21-4-6-23-7-5-21/h3-4,7-9H,5-6,10-11H2,1-2H3;2-3,8-10H,4-7,11H2,1H3.

What are the key properties of 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?

4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine has a molecular weight of 647.74 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-1-methylpiperazin-2-one;4-[4-(6-methoxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158678811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).