2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine

C18H23N7 — CID 45205228

IUPAC2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
SMILESCc1[nH]cnc1CN1CCCC(Cn2cc(-c3ccccn3)nn2)C1
InChIInChI=1S/C18H23N7/c1-14-17(21-13-20-14)11-24-8-4-5-15(9-24)10-25-12-18(22-23-25)16-6-2-3-7-19-16/h2-3,6-7,12-13,15H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyVESPPBDLRUKADY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine

2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine (PubChem CID 45205228) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
PubChem CID45205228
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
SMILESCc1[nH]cnc1CN1CCCC(Cn2cc(-c3ccccn3)nn2)C1
InChIInChI=1S/C18H23N7/c1-14-17(21-13-20-14)11-24-8-4-5-15(9-24)10-25-12-18(22-23-25)16-6-2-3-7-19-16/h2-3,6-7,12-13,15H,4-5,8-11H2,1H3,(H,20,21)
InChIKeyVESPPBDLRUKADY-UHFFFAOYSA-N
XLogP2.28
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(3R)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
CID 29025684
(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine
CID 29170107
2-methyl-6-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 127246127
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124956560
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
3-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97205716
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine (CID 45205228) is 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine is Cc1[nH]cnc1CN1CCCC(Cn2cc(-c3ccccn3)nn2)C1.
What is the InChIKey of 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine?
The InChIKey is VESPPBDLRUKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-17(21-13-20-14)11-24-8-4-5-15(9-24)10-25-12-18(22-23-25)16-6-2-3-7-19-16/h2-3,6-7,12-13,15H,4-5,8-11H2,1H3,(H,20,21).
What are the key properties of 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine?
2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 45205228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).