3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one

C26H21FN4O2 — CID 59622968

IUPAC3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc2cn[nH]c2cc1F)CCC3
InChIInChI=1S/C26H21FN4O2/c1-14(32)25-24(19-6-3-7-28-26(19)33)20-9-15-4-2-5-16(15)10-23(20)31(25)13-18-8-17-12-29-30-22(17)11-21(18)27/h3,6-12H,2,4-5,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyODLDKKJPBSYANG-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.75
Rot. Bonds4

About 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one

3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (PubChem CID 59622968) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
PubChem CID59622968
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc2cn[nH]c2cc1F)CCC3
InChIInChI=1S/C26H21FN4O2/c1-14(32)25-24(19-6-3-7-28-26(19)33)20-9-15-4-2-5-16(15)10-23(20)31(25)13-18-8-17-12-29-30-22(17)11-21(18)27/h3,6-12H,2,4-5,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyODLDKKJPBSYANG-UHFFFAOYSA-N
XLogP4.75
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (CID 59622968) is 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc2cn[nH]c2cc1F)CCC3.
What is the InChIKey of 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The InChIKey is ODLDKKJPBSYANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-14(32)25-24(19-6-3-7-28-26(19)33)20-9-15-4-2-5-16(15)10-23(20)31(25)13-18-8-17-12-29-30-22(17)11-21(18)27/h3,6-12H,2,4-5,13H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one has a molecular weight of 440.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-1-[(6-fluoro-1H-indazol-5-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59622968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).