6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine

C17H16F3N9O — CID 171803174

IUPAC6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)no4)n3)cn12
InChIInChI=1S/C17H16F3N9O/c1-8-22-6-10-5-4-9(7-29(8)10)11-23-14(21)26-15(24-11)27-16(2,3)13-25-12(28-30-13)17(18,19)20/h4-7H,1-3H3,(H3,21,23,24,26,27)
InChIKeySHPOOCQJPRLMHI-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.83
Rot. Bonds4

About 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 171803174) has the molecular formula C17H16F3N9O and a molecular weight of 419.37 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID171803174
Molecular FormulaC17H16F3N9O
Molecular Weight419.37 g/mol
Exact Mass419.14
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)no4)n3)cn12
InChIInChI=1S/C17H16F3N9O/c1-8-22-6-10-5-4-9(7-29(8)10)11-23-14(21)26-15(24-11)27-16(2,3)13-25-12(28-30-13)17(18,19)20/h4-7H,1-3H3,(H3,21,23,24,26,27)
InChIKeySHPOOCQJPRLMHI-UHFFFAOYSA-N
XLogP2.83
TPSA132.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine 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

6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803200
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 166163848
(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
CID 166164074
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine
CID 171803205
4-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1R)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184769
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871
6-(1H-indazol-6-yl)-2-N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166164105
6-(1-fluoro-3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184768
6-(1-methylindazol-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803198
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 171803216
6-tert-butyl-3-methylimidazo[1,5-a]pyridine
CID 122429271
4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
CID 171803213

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 171803174) is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)no4)n3)cn12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SHPOOCQJPRLMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N9O/c1-8-22-6-10-5-4-9(7-29(8)10)11-23-14(21)26-15(24-11)27-16(2,3)13-25-12(28-30-13)17(18,19)20/h4-7H,1-3H3,(H3,21,23,24,26,27).
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 419.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).