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

C28H24N8O — CID 155582281

IUPACN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine
SMILESCc1cccc(-c2[nH]c(CNCc3cccc(Oc4cccnc4)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C28H24N8O/c1-19-5-2-9-24(33-19)28-27(21-10-11-26-31-18-32-36(26)17-21)34-25(35-28)16-30-14-20-6-3-7-22(13-20)37-23-8-4-12-29-15-23/h2-13,15,17-18,30H,14,16H2,1H3,(H,34,35)
InChIKeyXEMPNKGBWKJEIR-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.97
Rot. Bonds8

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

N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine (PubChem CID 155582281) has the molecular formula C28H24N8O and a molecular weight of 488.56 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]-1-(3-pyridin-3-yloxyphenyl)methanamine.

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]-1-(3-pyridin-3-yloxyphenyl)methanamine
PubChem CID155582281
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine
SMILESCc1cccc(-c2[nH]c(CNCc3cccc(Oc4cccnc4)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C28H24N8O/c1-19-5-2-9-24(33-19)28-27(21-10-11-26-31-18-32-36(26)17-21)34-25(35-28)16-30-14-20-6-3-7-22(13-20)37-23-8-4-12-29-15-23/h2-13,15,17-18,30H,14,16H2,1H3,(H,34,35)
InChIKeyXEMPNKGBWKJEIR-UHFFFAOYSA-N
XLogP4.97
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Migoprotafib
CID 139512018
Methyl substituted pyrazole, 27
CID 23648674
Methyl substituted pyrazole, 28
CID 23648676
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11440570
US10399974, Example 56
CID 118348985
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dimethyl-6-piperidin-4-yl-9H-carbazole
CID 156213234
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 38
CID 118288258
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(piperidin-1-yl)propoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 11575755

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]-1-(3-pyridin-3-yloxyphenyl)methanamine?
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]-1-(3-pyridin-3-yloxyphenyl)methanamine (CID 155582281) is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine.
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]-1-(3-pyridin-3-yloxyphenyl)methanamine?
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]-1-(3-pyridin-3-yloxyphenyl)methanamine is Cc1cccc(-c2[nH]c(CNCc3cccc(Oc4cccnc4)c3)nc2-c2ccc3ncnn3c2)n1.
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]-1-(3-pyridin-3-yloxyphenyl)methanamine?
The InChIKey is XEMPNKGBWKJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-19-5-2-9-24(33-19)28-27(21-10-11-26-31-18-32-36(26)17-21)34-25(35-28)16-30-14-20-6-3-7-22(13-20)37-23-8-4-12-29-15-23/h2-13,15,17-18,30H,14,16H2,1H3,(H,34,35).
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]-1-(3-pyridin-3-yloxyphenyl)methanamine?
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-(3-pyridin-3-yloxyphenyl)methanamine has a molecular weight of 488.56 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1-(3-pyridin-3-yloxyphenyl)methanamine is sourced from PubChem (CID 155582281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).