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

C21H19FN6 — CID 91579816

IUPAC1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCn1nnnc1-c1ccc2c(c1)c(C1=CCNCC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C21H19FN6/c1-27-21(24-25-26-27)15-2-7-20-18(12-15)19(14-8-10-23-11-9-14)13-28(20)17-5-3-16(22)4-6-17/h2-8,12-13,23H,9-11H2,1H3
InChIKeyDTFBWOMTCZZPLF-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.34
Rot. Bonds3

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

1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 91579816) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID91579816
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCn1nnnc1-c1ccc2c(c1)c(C1=CCNCC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C21H19FN6/c1-27-21(24-25-26-27)15-2-7-20-18(12-15)19(14-8-10-23-11-9-14)13-28(20)17-5-3-16(22)4-6-17/h2-8,12-13,23H,9-11H2,1H3
InChIKeyDTFBWOMTCZZPLF-UHFFFAOYSA-N
XLogP3.34
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 91579816) is 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cn1nnnc1-c1ccc2c(c1)c(C1=CCNCC1)cn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is DTFBWOMTCZZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-27-21(24-25-26-27)15-2-7-20-18(12-15)19(14-8-10-23-11-9-14)13-28(20)17-5-3-16(22)4-6-17/h2-8,12-13,23H,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 374.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 91579816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).