4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one

C20H25N5O2 — CID 157044560

About 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157044560) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 157044560
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2C2CCC2)C1=O
• InChI: InChI=1S/C20H25N5O2/c1-23-11-16-15(20(23)26)8-18(22-19(16)13-4-3-5-13)25-6-7-27-17(12-25)14-9-21-24(2)10-14/h8-10,13,17H,3-7,11-12H2,1-2H3
• InChIKey: XSPSMLIAPFSMJM-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157044560) is 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2C2CCC2)C1=O.

What is the InChIKey of 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is XSPSMLIAPFSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-11-16-15(20(23)26)8-18(22-19(16)13-4-3-5-13)25-6-7-27-17(12-25)14-9-21-24(2)10-14/h8-10,13,17H,3-7,11-12H2,1-2H3.

What are the key properties of 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?

4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 367.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclobutyl-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157044560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).