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

C26H28FN5O3 — CID 166452439

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

2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452439) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 166452439
• Molecular Formula: C26H28FN5O3
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.22
• IUPAC Name: 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: COC[C@@]1(N)CCN(c2cc(C)cc(N3Cc4c(ccnc4-c4c(F)cccc4OC)C3=O)n2)C1
• InChI: InChI=1S/C26H28FN5O3/c1-16-11-21(31-10-8-26(28,14-31)15-34-2)30-22(12-16)32-13-18-17(25(32)33)7-9-29-24(18)23-19(27)5-4-6-20(23)35-3/h4-7,9,11-12H,8,10,13-15,28H2,1-3H3/t26-/m1/s1
• InChIKey: RKJAAWLURWEQOX-AREMUKBSSA-N
• XLogP: 3.31
• TPSA: 93.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452439) is 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-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-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COC[C@@]1(N)CCN(c2cc(C)cc(N3Cc4c(ccnc4-c4c(F)cccc4OC)C3=O)n2)C1.

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

The InChIKey is RKJAAWLURWEQOX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-11-21(31-10-8-26(28,14-31)15-34-2)30-22(12-16)32-13-18-17(25(32)33)7-9-29-24(18)23-19(27)5-4-6-20(23)35-3/h4-7,9,11-12H,8,10,13-15,28H2,1-3H3/t26-/m1/s1.

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

2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 477.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).