N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine

C24H31N7 — CID 153349873

IUPACN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine
SMILESCCCCCC(CC)NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C24H31N7/c1-4-6-7-10-19(5-2)25-14-21-29-23(18-12-13-22-26-16-27-31(22)15-18)24(30-21)20-11-8-9-17(3)28-20/h8-9,11-13,15-16,19,25H,4-7,10,14H2,1-3H3,(H,29,30)
InChIKeyZFWSHNVXCFGWOE-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.94
Rot. Bonds10

About N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine

N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine (PubChem CID 153349873) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine.

Molecular Properties

Compound NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine
PubChem CID153349873
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine
SMILESCCCCCC(CC)NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C24H31N7/c1-4-6-7-10-19(5-2)25-14-21-29-23(18-12-13-22-26-16-27-31(22)15-18)24(30-21)20-11-8-9-17(3)28-20/h8-9,11-13,15-16,19,25H,4-7,10,14H2,1-3H3,(H,29,30)
InChIKeyZFWSHNVXCFGWOE-UHFFFAOYSA-N
XLogP4.94
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 155582412
4-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766469
carbon dioxide;(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 176547584
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766013
2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
CID 54767249
2-[[ethyl(propyl)amino]methyl]-3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
CID 126737065
6-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157418310
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 139569355
6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139569221
1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 156725514
1-methyl-2,3-dihydro-1H-indene;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine;molecular hydrogen
CID 153349881
N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine
CID 139569470

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine?
The IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine (CID 153349873) is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine.
What is the SMILES notation for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine?
The canonical SMILES for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine is CCCCCC(CC)NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1.
What is the InChIKey of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine?
The InChIKey is ZFWSHNVXCFGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-4-6-7-10-19(5-2)25-14-21-29-23(18-12-13-22-26-16-27-31(22)15-18)24(30-21)20-11-8-9-17(3)28-20/h8-9,11-13,15-16,19,25H,4-7,10,14H2,1-3H3,(H,29,30).
What are the key properties of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine?
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine has a molecular weight of 417.56 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]octan-3-amine is sourced from PubChem (CID 153349873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).