1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole

C23H24FN5 — CID 71508712

IUPAC1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1
InChIInChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3
InChIKeyQHNXJRSEHMJHRM-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole

1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole (PubChem CID 71508712) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
PubChem CID71508712
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1
InChIInChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3
InChIKeyQHNXJRSEHMJHRM-UHFFFAOYSA-N
XLogP4.37
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole (CID 71508712) is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole is CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole?
The InChIKey is QHNXJRSEHMJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole?
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole has a molecular weight of 389.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole is sourced from PubChem (CID 71508712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).