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

C18H17F3N8S — CID 166163919

IUPAC6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)cs4)n3)cn12
InChIInChI=1S/C18H17F3N8S/c1-9-23-6-11-5-4-10(7-29(9)11)13-25-15(22)27-16(26-13)28-17(2,3)14-24-12(8-30-14)18(19,20)21/h4-8H,1-3H3,(H3,22,25,26,27,28)
InChIKeyWYPRJJQRQZPIMQ-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.90
Rot. Bonds4

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

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 166163919) has the molecular formula C18H17F3N8S and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID166163919
Molecular FormulaC18H17F3N8S
Molecular Weight434.45 g/mol
Exact Mass434.12
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)cs4)n3)cn12
InChIInChI=1S/C18H17F3N8S/c1-9-23-6-11-5-4-10(7-29(9)11)13-25-15(22)27-16(26-13)28-17(2,3)14-24-12(8-30-14)18(19,20)21/h4-8H,1-3H3,(H3,22,25,26,27,28)
InChIKeyWYPRJJQRQZPIMQ-UHFFFAOYSA-N
XLogP3.90
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 166163919) is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-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-[4-(trifluoromethyl)-1,3-thiazol-2-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4nc(C(F)(F)F)cs4)n3)cn12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WYPRJJQRQZPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8S/c1-9-23-6-11-5-4-10(7-29(9)11)13-25-15(22)27-16(26-13)28-17(2,3)14-24-12(8-30-14)18(19,20)21/h4-8H,1-3H3,(H3,22,25,26,27,28).
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 434.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166163919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).