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

C20H22F3N9 — CID 178184769

IUPAC4-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
SMILESCNc1nc(N[C@@H](c2cnc(C(F)(F)F)[nH]2)C(C)C)nc(-c2ccc3cnc(C)n3c2)n1
InChIInChI=1S/C20H22F3N9/c1-10(2)15(14-8-26-17(27-14)20(21,22)23)28-19-30-16(29-18(24-4)31-19)12-5-6-13-7-25-11(3)32(13)9-12/h5-10,15H,1-4H3,(H,26,27)(H2,24,28,29,30,31)/t15-/m1/s1
InChIKeyWKSMPFWMKLJUTB-OAHLLOKOSA-N
MW445.45 g/mol
LogP4.09
Rot. Bonds6

About 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

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 (PubChem CID 178184769) has the molecular formula C20H22F3N9 and a molecular weight of 445.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID178184769
Molecular FormulaC20H22F3N9
Molecular Weight445.45 g/mol
Exact Mass445.20
IUPAC Name4-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
SMILESCNc1nc(N[C@@H](c2cnc(C(F)(F)F)[nH]2)C(C)C)nc(-c2ccc3cnc(C)n3c2)n1
InChIInChI=1S/C20H22F3N9/c1-10(2)15(14-8-26-17(27-14)20(21,22)23)28-19-30-16(29-18(24-4)31-19)12-5-6-13-7-25-11(3)32(13)9-12/h5-10,15H,1-4H3,(H,26,27)(H2,24,28,29,30,31)/t15-/m1/s1
InChIKeyWKSMPFWMKLJUTB-OAHLLOKOSA-N
XLogP4.09
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(N[C@@H](c2cnc(C(F)(F)F)[nH]2)C(C)C)nc(-c2ccc3cnc(C)n3c2)n1.
What is the InChIKey of 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?
The InChIKey is WKSMPFWMKLJUTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22F3N9/c1-10(2)15(14-8-26-17(27-14)20(21,22)23)28-19-30-16(29-18(24-4)31-19)12-5-6-13-7-25-11(3)32(13)9-12/h5-10,15H,1-4H3,(H,26,27)(H2,24,28,29,30,31)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 445.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178184769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).