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

C25H26FN5O2 — CID 175365711

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

4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 175365711) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 175365711
• Molecular Formula: C25H26FN5O2
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: COc1cccc(F)c1-c1nccc2c1CN(c1cc(C)cc(N3CCNC(C)C3)n1)C2=O
• InChI: InChI=1S/C25H26FN5O2/c1-15-11-21(30-10-9-27-16(2)13-30)29-22(12-15)31-14-18-17(25(31)32)7-8-28-24(18)23-19(26)5-4-6-20(23)33-3/h4-8,11-12,16,27H,9-10,13-14H2,1-3H3
• InChIKey: NANPCUKSOBCONU-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 175365711) is 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

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

The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cc(C)cc(N3CCNC(C)C3)n1)C2=O.

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

The InChIKey is NANPCUKSOBCONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-15-11-21(30-10-9-27-16(2)13-30)29-22(12-15)31-14-18-17(25(31)32)7-8-28-24(18)23-19(26)5-4-6-20(23)33-3/h4-8,11-12,16,27H,9-10,13-14H2,1-3H3.

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

4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 447.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 175365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).