3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C18H22FN7 — CID 72872159

IUPAC3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nccn1Cc1nnc(C2CCCN(c3ncccc3F)C2)n1C
InChIInChI=1S/C18H22FN7/c1-13-20-8-10-25(13)12-16-22-23-17(24(16)2)14-5-4-9-26(11-14)18-15(19)6-3-7-21-18/h3,6-8,10,14H,4-5,9,11-12H2,1-2H3
InChIKeyKYZVUSVUYBXVEL-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.29
Rot. Bonds4

About 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 72872159) has the molecular formula C18H22FN7 and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID72872159
Molecular FormulaC18H22FN7
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC Name3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCc1nccn1Cc1nnc(C2CCCN(c3ncccc3F)C2)n1C
InChIInChI=1S/C18H22FN7/c1-13-20-8-10-25(13)12-16-22-23-17(24(16)2)14-5-4-9-26(11-14)18-15(19)6-3-7-21-18/h3,6-8,10,14H,4-5,9,11-12H2,1-2H3
InChIKeyKYZVUSVUYBXVEL-UHFFFAOYSA-N
XLogP2.29
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine with MolForge

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Related Compounds

Adipiplon
CID 11198924
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
US10399985, Example 30
CID 118278101
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
5,8-Dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71151969
US10399985, Example 25
CID 118278077
US10399985, Example 23
CID 118278081

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 72872159) is 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cc1nccn1Cc1nnc(C2CCCN(c3ncccc3F)C2)n1C.
What is the InChIKey of 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is KYZVUSVUYBXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7/c1-13-20-8-10-25(13)12-16-22-23-17(24(16)2)14-5-4-9-26(11-14)18-15(19)6-3-7-21-18/h3,6-8,10,14H,4-5,9,11-12H2,1-2H3.
What are the key properties of 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 355.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 72872159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).