1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C22H20FN5 — CID 11036104

IUPAC1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCn1ncc(-c2ccc3c(c2)c(C2=CCNCC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5/c1-27-25-13-21(26-27)16-2-7-22-19(12-16)20(15-8-10-24-11-9-15)14-28(22)18-5-3-17(23)4-6-18/h2-8,12-14,24H,9-11H2,1H3
InChIKeyJVYPIKYLZQMCDS-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 11036104) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID11036104
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCn1ncc(-c2ccc3c(c2)c(C2=CCNCC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5/c1-27-25-13-21(26-27)16-2-7-22-19(12-16)20(15-8-10-24-11-9-15)14-28(22)18-5-3-17(23)4-6-18/h2-8,12-14,24H,9-11H2,1H3
InChIKeyJVYPIKYLZQMCDS-UHFFFAOYSA-N
XLogP3.94
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 11036104) is 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cn1ncc(-c2ccc3c(c2)c(C2=CCNCC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is JVYPIKYLZQMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c1-27-25-13-21(26-27)16-2-7-22-19(12-16)20(15-8-10-24-11-9-15)14-28(22)18-5-3-17(23)4-6-18/h2-8,12-14,24H,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 373.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2-methyltriazol-4-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 11036104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).