7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine

C21H21FN6 — CID 155235280

IUPAC7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine
SMILESCN1CCC(c2cc(-c3ccn4nnnc4c3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C21H21FN6/c1-27-9-6-14(7-10-27)19-13-18(16-8-11-28-20(12-16)24-25-26-28)21(23-19)15-2-4-17(22)5-3-15/h2-5,8,11-14,23H,6-7,9-10H2,1H3
InChIKeySUZXWLWOPNWDAY-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.73
Rot. Bonds3

About 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine

7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine (PubChem CID 155235280) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine
PubChem CID155235280
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine
SMILESCN1CCC(c2cc(-c3ccn4nnnc4c3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C21H21FN6/c1-27-9-6-14(7-10-27)19-13-18(16-8-11-28-20(12-16)24-25-26-28)21(23-19)15-2-4-17(22)5-3-15/h2-5,8,11-14,23H,6-7,9-10H2,1H3
InChIKeySUZXWLWOPNWDAY-UHFFFAOYSA-N
XLogP3.73
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine (CID 155235280) is 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine is CN1CCC(c2cc(-c3ccn4nnnc4c3)c(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine?
The InChIKey is SUZXWLWOPNWDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-27-9-6-14(7-10-27)19-13-18(16-8-11-28-20(12-16)24-25-26-28)21(23-19)15-2-4-17(22)5-3-15/h2-5,8,11-14,23H,6-7,9-10H2,1H3.
What are the key properties of 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine?
7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine has a molecular weight of 376.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]tetrazolo[1,5-a]pyridine is sourced from PubChem (CID 155235280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).