5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C23H27FN4O2 — CID 66607669

About 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 66607669) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 66607669
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• SMILES: CCC(CC)(CN)N1CCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O
• InChI: InChI=1S/C23H27FN4O2/c1-4-23(5-2,12-25)28-9-8-18-20(22(28)30)13(3)19(26-18)11-16-15-10-14(24)6-7-17(15)27-21(16)29/h6-7,10-11,26H,4-5,8-9,12,25H2,1-3H3,(H,27,29)
• InChIKey: JLVPRWJLUMZASD-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 91.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 66607669) is 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CCC(CC)(CN)N1CCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O.

What is the InChIKey of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is JLVPRWJLUMZASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-4-23(5-2,12-25)28-9-8-18-20(22(28)30)13(3)19(26-18)11-16-15-10-14(24)6-7-17(15)27-21(16)29/h6-7,10-11,26H,4-5,8-9,12,25H2,1-3H3,(H,27,29).

What are the key properties of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 410.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 66607669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).