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

C19H20F3N9 — CID 178184764

IUPAC6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@H](c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12
InChIInChI=1S/C19H20F3N9/c1-9(2)14(13-7-25-16(26-13)19(20,21)22)27-18-29-15(28-17(23)30-18)11-4-5-12-6-24-10(3)31(12)8-11/h4-9,14H,1-3H3,(H,25,26)(H3,23,27,28,29,30)/t14-/m0/s1
InChIKeyBVSHIDMNUDEKPU-AWEZNQCLSA-N
MW431.43 g/mol
LogP3.63
Rot. Bonds5

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

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 178184764) has the molecular formula C19H20F3N9 and a molecular weight of 431.43 g/mol. Its IUPAC name is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
PubChem CID178184764
Molecular FormulaC19H20F3N9
Molecular Weight431.43 g/mol
Exact Mass431.18
IUPAC Name6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@H](c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12
InChIInChI=1S/C19H20F3N9/c1-9(2)14(13-7-25-16(26-13)19(20,21)22)27-18-29-15(28-17(23)30-18)11-4-5-12-6-24-10(3)31(12)8-11/h4-9,14H,1-3H3,(H,25,26)(H3,23,27,28,29,30)/t14-/m0/s1
InChIKeyBVSHIDMNUDEKPU-AWEZNQCLSA-N
XLogP3.63
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-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-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine (CID 178184764) is 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(N[C@H](c4cnc(C(F)(F)F)[nH]4)C(C)C)n3)cn12.
What is the InChIKey of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BVSHIDMNUDEKPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20F3N9/c1-9(2)14(13-7-25-16(26-13)19(20,21)22)27-18-29-15(28-17(23)30-18)11-4-5-12-6-24-10(3)31(12)8-11/h4-9,14H,1-3H3,(H,25,26)(H3,23,27,28,29,30)/t14-/m0/s1.
What are the key properties of 6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine?
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 431.43 g/mol, XLogP of 3.63, 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-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 178184764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).