6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C28H35FN4O — CID 18323653

IUPAC6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C28H35FN4O/c1-34-28-7-3-2-6-27(28)33-18-16-32(17-19-33)13-5-4-12-31-14-10-22(11-15-31)25-21-30-26-20-23(29)8-9-24(25)26/h2-3,6-10,20-21,30H,4-5,11-19H2,1H3
InChIKeyXXNTUPBQFFCQRM-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.01
Rot. Bonds8

About 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 18323653) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID18323653
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC Name6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C28H35FN4O/c1-34-28-7-3-2-6-27(28)33-18-16-32(17-19-33)13-5-4-12-31-14-10-22(11-15-31)25-21-30-26-20-23(29)8-9-24(25)26/h2-3,6-10,20-21,30H,4-5,11-19H2,1H3
InChIKeyXXNTUPBQFFCQRM-UHFFFAOYSA-N
XLogP5.01
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole with MolForge

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Related Compounds

1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide
CID 70343994
3-[4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-6,7-dimethoxyquinazolin-4-one
CID 11305667
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
3-[1-[2-(difluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 133297500
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 112841616
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
CID 70288364
3-[1-(3-bromo-4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 55733538

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 18323653) is 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccccc1N1CCN(CCCCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1.
What is the InChIKey of 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is XXNTUPBQFFCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-34-28-7-3-2-6-27(28)33-18-16-32(17-19-33)13-5-4-12-31-14-10-22(11-15-31)25-21-30-26-20-23(29)8-9-24(25)26/h2-3,6-10,20-21,30H,4-5,11-19H2,1H3.
What are the key properties of 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 462.61 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 18323653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).