1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C19H19N5O2 — CID 146044549

About 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 146044549) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
• PubChem CID: 146044549
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
• SMILES: Cc1cc2c(cn1)CN(C(=O)CCCc1nc(-c3ccncc3)no1)C2
• InChI: InChI=1S/C19H19N5O2/c1-13-9-15-11-24(12-16(15)10-21-13)18(25)4-2-3-17-22-19(23-26-17)14-5-7-20-8-6-14/h5-10H,2-4,11-12H2,1H3
• InChIKey: FIHGVOOJZFMATB-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?

The IUPAC name of 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 146044549) is 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

What is the SMILES notation for 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?

The canonical SMILES for 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1cc2c(cn1)CN(C(=O)CCCc1nc(-c3ccncc3)no1)C2.

What is the InChIKey of 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?

The InChIKey is FIHGVOOJZFMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-15-11-24(12-16(15)10-21-13)18(25)4-2-3-17-22-19(23-26-17)14-5-7-20-8-6-14/h5-10H,2-4,11-12H2,1H3.

What are the key properties of 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?

1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 349.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 146044549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).