7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one

C27H29F2N3O — CID 44535520

IUPAC7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one
SMILESCc1[nH]c2cc(F)ccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3c(F)cccc32)CC1
InChIInChI=1S/C27H29F2N3O/c1-17-24(20-9-8-19(28)16-23(20)30-17)18-10-14-32(15-11-18)13-4-3-12-27(2)21-6-5-7-22(29)25(21)31-26(27)33/h5-10,16,30H,3-4,11-15H2,1-2H3,(H,31,33)
InChIKeyUWPLSEIKDQMWIO-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.92
Rot. Bonds6

About 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one

7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one (PubChem CID 44535520) has the molecular formula C27H29F2N3O and a molecular weight of 449.55 g/mol. Its IUPAC name is 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one
PubChem CID44535520
Molecular FormulaC27H29F2N3O
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one
SMILESCc1[nH]c2cc(F)ccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3c(F)cccc32)CC1
InChIInChI=1S/C27H29F2N3O/c1-17-24(20-9-8-19(28)16-23(20)30-17)18-10-14-32(15-11-18)13-4-3-12-27(2)21-6-5-7-22(29)25(21)31-26(27)33/h5-10,16,30H,3-4,11-15H2,1-2H3,(H,31,33)
InChIKeyUWPLSEIKDQMWIO-UHFFFAOYSA-N
XLogP5.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one (CID 44535520) is 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one is Cc1[nH]c2cc(F)ccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3c(F)cccc32)CC1.
What is the InChIKey of 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one?
The InChIKey is UWPLSEIKDQMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O/c1-17-24(20-9-8-19(28)16-23(20)30-17)18-10-14-32(15-11-18)13-4-3-12-27(2)21-6-5-7-22(29)25(21)31-26(27)33/h5-10,16,30H,3-4,11-15H2,1-2H3,(H,31,33).
What are the key properties of 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one?
7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one has a molecular weight of 449.55 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 44535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).