2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C29H27FN6O2 — CID 166452214

About 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452214) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 166452214
• Molecular Formula: C29H27FN6O2
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.22
• IUPAC Name: 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: COc1cccc(F)c1-c1nccc2c1CN(c1ccc(-c3ccc(C)nc3)c(N3CC[C@@H](N)C3)n1)C2=O
• InChI: InChI=1S/C29H27FN6O2/c1-17-6-7-18(14-33-17)20-8-9-25(34-28(20)35-13-11-19(31)15-35)36-16-22-21(29(36)37)10-12-32-27(22)26-23(30)4-3-5-24(26)38-2/h3-10,12,14,19H,11,13,15-16,31H2,1-2H3/t19-/m1/s1
• InChIKey: IXJQUEOGEUFQQZ-LJQANCHMSA-N
• XLogP: 4.36
• TPSA: 97.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452214) is 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1ccc(-c3ccc(C)nc3)c(N3CC[C@@H](N)C3)n1)C2=O.

What is the InChIKey of 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is IXJQUEOGEUFQQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-17-6-7-18(14-33-17)20-8-9-25(34-28(20)35-13-11-19(31)15-35)36-16-22-21(29(36)37)10-12-32-27(22)26-23(30)4-3-5-24(26)38-2/h3-10,12,14,19H,11,13,15-16,31H2,1-2H3/t19-/m1/s1.

What are the key properties of 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 510.57 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).