6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine

C22H18F3N9 — CID 171803219

IUPAC6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(c4ccccc4)c4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C22H18F3N9/c1-12-27-9-15-8-7-14(11-34(12)15)18-31-20(26)33-21(32-18)30-17(13-5-3-2-4-6-13)16-10-28-19(29-16)22(23,24)25/h2-11,17H,1H3,(H,28,29)(H3,26,30,31,32,33)
InChIKeyQRWZKDJBJVYIAO-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.02
Rot. Bonds5

About 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 171803219) has the molecular formula C22H18F3N9 and a molecular weight of 465.44 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID171803219
Molecular FormulaC22H18F3N9
Molecular Weight465.44 g/mol
Exact Mass465.16
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(c4ccccc4)c4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C22H18F3N9/c1-12-27-9-15-8-7-14(11-34(12)15)18-31-20(26)33-21(32-18)30-17(13-5-3-2-4-6-13)16-10-28-19(29-16)22(23,24)25/h2-11,17H,1H3,(H,28,29)(H3,26,30,31,32,33)
InChIKeyQRWZKDJBJVYIAO-UHFFFAOYSA-N
XLogP4.02
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-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-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 171803219) is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(NC(c4ccccc4)c4cnc(C(F)(F)F)[nH]4)n3)cn12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QRWZKDJBJVYIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N9/c1-12-27-9-15-8-7-14(11-34(12)15)18-31-20(26)33-21(32-18)30-17(13-5-3-2-4-6-13)16-10-28-19(29-16)22(23,24)25/h2-11,17H,1H3,(H,28,29)(H3,26,30,31,32,33).
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 465.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[phenyl-[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).