4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C15H10F3N7O — CID 164861740

IUPAC4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cccnc2n1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F3N7O/c16-15(17,18)10-4-3-8(6-21-10)7-25-13-9(2-1-5-20-13)22-14(25)11-12(19)24-26-23-11/h1-6H,7H2,(H2,19,24)
InChIKeyHAYKSMLNWYAOKO-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.53
Rot. Bonds3

About 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861740) has the molecular formula C15H10F3N7O and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861740
Molecular FormulaC15H10F3N7O
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC Name4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cccnc2n1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F3N7O/c16-15(17,18)10-4-3-8(6-21-10)7-25-13-9(2-1-5-20-13)22-14(25)11-12(19)24-26-23-11/h1-6H,7H2,(H2,19,24)
InChIKeyHAYKSMLNWYAOKO-UHFFFAOYSA-N
XLogP2.53
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine 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

4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
CID 164861743
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861472
3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71648739
3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79273085
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861740) is 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2cccnc2n1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is HAYKSMLNWYAOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O/c16-15(17,18)10-4-3-8(6-21-10)7-25-13-9(2-1-5-20-13)22-14(25)11-12(19)24-26-23-11/h1-6H,7H2,(H2,19,24).
What are the key properties of 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 361.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).