2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C16H17F3N4O — CID 154784069

IUPAC2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cn2c(n1)CC(C(=O)Nc1cnc(C(F)(F)F)c(C)c1)CC2
InChIInChI=1S/C16H17F3N4O/c1-9-5-12(7-20-14(9)16(17,18)19)22-15(24)11-3-4-23-8-10(2)21-13(23)6-11/h5,7-8,11H,3-4,6H2,1-2H3,(H,22,24)
InChIKeyBTSBGLHNYMLHKO-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.11
Rot. Bonds2

About 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 154784069) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID154784069
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cn2c(n1)CC(C(=O)Nc1cnc(C(F)(F)F)c(C)c1)CC2
InChIInChI=1S/C16H17F3N4O/c1-9-5-12(7-20-14(9)16(17,18)19)22-15(24)11-3-4-23-8-10(2)21-13(23)6-11/h5,7-8,11H,3-4,6H2,1-2H3,(H,22,24)
InChIKeyBTSBGLHNYMLHKO-UHFFFAOYSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 154784069) is 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is Cc1cn2c(n1)CC(C(=O)Nc1cnc(C(F)(F)F)c(C)c1)CC2.
What is the InChIKey of 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is BTSBGLHNYMLHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-5-12(7-20-14(9)16(17,18)19)22-15(24)11-3-4-23-8-10(2)21-13(23)6-11/h5,7-8,11H,3-4,6H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 154784069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).