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

C23H25FN2 — CID 70044157

IUPAC3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESFc1ccc(C2C=CCN(CCCCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C23H25FN2/c24-21-12-10-18(11-13-21)20-7-5-15-26(17-20)14-4-3-6-19-16-25-23-9-2-1-8-22(19)23/h1-2,5,7-13,16,20,25H,3-4,6,14-15,17H2
InChIKeySDAVLWPAEIJLBZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.29
Rot. Bonds6

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

3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (PubChem CID 70044157) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
PubChem CID70044157
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESFc1ccc(C2C=CCN(CCCCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C23H25FN2/c24-21-12-10-18(11-13-21)20-7-5-15-26(17-20)14-4-3-6-19-16-25-23-9-2-1-8-22(19)23/h1-2,5,7-13,16,20,25H,3-4,6,14-15,17H2
InChIKeySDAVLWPAEIJLBZ-UHFFFAOYSA-N
XLogP5.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
CID 70045088
3-[4-[3-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044868
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138
7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 70044975
3-[4-[3-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-6-carboxamide
CID 67883158
3-[4-[3-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883226
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 7038412
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (CID 70044157) is 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is Fc1ccc(C2C=CCN(CCCCc3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The InChIKey is SDAVLWPAEIJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c24-21-12-10-18(11-13-21)20-7-5-15-26(17-20)14-4-3-6-19-16-25-23-9-2-1-8-22(19)23/h1-2,5,7-13,16,20,25H,3-4,6,14-15,17H2.
What are the key properties of 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole has a molecular weight of 348.47 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 70044157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).