methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate

C25H25FN6O2 — CID 10049895

IUPACmethyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate
SMILESCOC(=O)C12CCC(c3nc(-c4ccc5ncnn5c4)c(-c4ccc(F)c(C)n4)[nH]3)(CC1)CC2
InChIInChI=1S/C25H25FN6O2/c1-15-17(26)4-5-18(29-15)21-20(16-3-6-19-27-14-28-32(19)13-16)30-22(31-21)24-7-10-25(11-8-24,12-9-24)23(33)34-2/h3-6,13-14H,7-12H2,1-2H3,(H,30,31)
InChIKeyVDOQHHCXPVJPQV-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.39
Rot. Bonds4

About methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate

methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate (PubChem CID 10049895) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate
PubChem CID10049895
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Namemethyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate
SMILESCOC(=O)C12CCC(c3nc(-c4ccc5ncnn5c4)c(-c4ccc(F)c(C)n4)[nH]3)(CC1)CC2
InChIInChI=1S/C25H25FN6O2/c1-15-17(26)4-5-18(29-15)21-20(16-3-6-19-27-14-28-32(19)13-16)30-22(31-21)24-7-10-25(11-8-24,12-9-24)23(33)34-2/h3-6,13-14H,7-12H2,1-2H3,(H,30,31)
InChIKeyVDOQHHCXPVJPQV-UHFFFAOYSA-N
XLogP4.39
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate 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

Vactosertib
CID 54766013
N-(3-Fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo[1,5-a]pyridin-6-yl-1H-imidazole-2-methanamine
CID 54766164
4-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 54766165
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
US11098041, Example 15
CID 121249963
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
CID 118537171
N-(6-(4-(4-fluorophenyl)-1-(2-(pyridin-3-yl)ethyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)pivalamide
CID 118538628
US10030027, Example 22A
CID 129242619
US10030027, Example 114A
CID 129242650
US10030027, Example 23B
CID 129242684
US10030027, Example 17AB
CID 129242745
US10030027, Example 116A
CID 129242834

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate?
The IUPAC name of methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate (CID 10049895) is methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate?
The canonical SMILES for methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate is COC(=O)C12CCC(c3nc(-c4ccc5ncnn5c4)c(-c4ccc(F)c(C)n4)[nH]3)(CC1)CC2.
What is the InChIKey of methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate?
The InChIKey is VDOQHHCXPVJPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-15-17(26)4-5-18(29-15)21-20(16-3-6-19-27-14-28-32(19)13-16)30-22(31-21)24-7-10-25(11-8-24,12-9-24)23(33)34-2/h3-6,13-14H,7-12H2,1-2H3,(H,30,31).
What are the key properties of methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate?
methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate has a molecular weight of 460.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate is sourced from PubChem (CID 10049895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).