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

C23H24F4N4O2 — CID 66607672

IUPAC5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(CC)(CN)N1CCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C(F)(F)F)c2C1=O
InChIInChI=1S/C23H24F4N4O2/c1-3-22(4-2,11-28)31-8-7-16-18(21(31)33)19(23(25,26)27)17(29-16)10-14-13-9-12(24)5-6-15(13)30-20(14)32/h5-6,9-10,29H,3-4,7-8,11,28H2,1-2H3,(H,30,32)
InChIKeyFNUWBBUYLGTTCH-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.18
Rot. Bonds5

About 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-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-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 66607672) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID66607672
Molecular FormulaC23H24F4N4O2
Molecular Weight464.46 g/mol
Exact Mass464.18
IUPAC Name5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(CC)(CN)N1CCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C(F)(F)F)c2C1=O
InChIInChI=1S/C23H24F4N4O2/c1-3-22(4-2,11-28)31-8-7-16-18(21(31)33)19(23(25,26)27)17(29-16)10-14-13-9-12(24)5-6-15(13)30-20(14)32/h5-6,9-10,29H,3-4,7-8,11,28H2,1-2H3,(H,30,32)
InChIKeyFNUWBBUYLGTTCH-UHFFFAOYSA-N
XLogP4.18
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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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-(trifluoromethyl)-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-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 66607672) is 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-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(F)(F)F)c2C1=O.
What is the InChIKey of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FNUWBBUYLGTTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c1-3-22(4-2,11-28)31-8-7-16-18(21(31)33)19(23(25,26)27)17(29-16)10-14-13-9-12(24)5-6-15(13)30-20(14)32/h5-6,9-10,29H,3-4,7-8,11,28H2,1-2H3,(H,30,32).
What are the key properties of 5-[3-(aminomethyl)pentan-3-yl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)-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-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 464.46 g/mol, XLogP of 4.18, 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-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 66607672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).