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

C27H30FN3O — CID 44535425

IUPAC4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
SMILESCc1[nH]c2ccccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3cccc(F)c32)CC1
InChIInChI=1S/C27H30FN3O/c1-18-24(20-8-3-4-10-22(20)29-18)19-12-16-31(17-13-19)15-6-5-14-27(2)25-21(28)9-7-11-23(25)30-26(27)32/h3-4,7-12,29H,5-6,13-17H2,1-2H3,(H,30,32)
InChIKeyBZVCDKASURXRKD-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.78
Rot. Bonds6

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

4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one (PubChem CID 44535425) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
PubChem CID44535425
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC Name4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
SMILESCc1[nH]c2ccccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3cccc(F)c32)CC1
InChIInChI=1S/C27H30FN3O/c1-18-24(20-8-3-4-10-22(20)29-18)19-12-16-31(17-13-19)15-6-5-14-27(2)25-21(28)9-7-11-23(25)30-26(27)32/h3-4,7-12,29H,5-6,13-17H2,1-2H3,(H,30,32)
InChIKeyBZVCDKASURXRKD-UHFFFAOYSA-N
XLogP5.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-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 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one?
The IUPAC name of 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one (CID 44535425) is 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one?
The canonical SMILES for 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one is Cc1[nH]c2ccccc2c1C1=CCN(CCCCC2(C)C(=O)Nc3cccc(F)c32)CC1.
What is the InChIKey of 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one?
The InChIKey is BZVCDKASURXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c1-18-24(20-8-3-4-10-22(20)29-18)19-12-16-31(17-13-19)15-6-5-14-27(2)25-21(28)9-7-11-23(25)30-26(27)32/h3-4,7-12,29H,5-6,13-17H2,1-2H3,(H,30,32).
What are the key properties of 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one?
4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one has a molecular weight of 431.56 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one is sourced from PubChem (CID 44535425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).