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

C19H19F4N9 — CID 178184768

IUPAC6-(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
SMILESCc1nc(F)c2ccc(-c3nc(N)nc(NC(c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12
InChIInChI=1S/C19H19F4N9/c1-8(2)13(11-6-25-16(27-11)19(21,22)23)28-18-30-15(29-17(24)31-18)10-4-5-12-14(20)26-9(3)32(12)7-10/h4-8,13H,1-3H3,(H,25,27)(H3,24,28,29,30,31)
InChIKeyPJNBGJNZGYRAJT-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.77
Rot. Bonds5

About 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

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 (PubChem CID 178184768) has the molecular formula C19H19F4N9 and a molecular weight of 449.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID178184768
Molecular FormulaC19H19F4N9
Molecular Weight449.42 g/mol
Exact Mass449.17
IUPAC Name6-(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
SMILESCc1nc(F)c2ccc(-c3nc(N)nc(NC(c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12
InChIInChI=1S/C19H19F4N9/c1-8(2)13(11-6-25-16(27-11)19(21,22)23)28-18-30-15(29-17(24)31-18)10-4-5-12-14(20)26-9(3)32(12)7-10/h4-8,13H,1-3H3,(H,25,27)(H3,24,28,29,30,31)
InChIKeyPJNBGJNZGYRAJT-UHFFFAOYSA-N
XLogP3.77
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(F)c2ccc(-c3nc(N)nc(NC(c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12.
What is the InChIKey of 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?
The InChIKey is PJNBGJNZGYRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N9/c1-8(2)13(11-6-25-16(27-11)19(21,22)23)28-18-30-15(29-17(24)31-18)10-4-5-12-14(20)26-9(3)32(12)7-10/h4-8,13H,1-3H3,(H,25,27)(H3,24,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 449.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178184768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).