5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

C14H18F3N5O2S — CID 167901313

IUPAC5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESCC1CCCc2nc(S(=O)(=O)NC(c3cnn(C)c3)C(F)(F)F)cn21
InChIInChI=1S/C14H18F3N5O2S/c1-9-4-3-5-11-19-12(8-22(9)11)25(23,24)20-13(14(15,16)17)10-6-18-21(2)7-10/h6-9,13,20H,3-5H2,1-2H3
InChIKeyTYZKYYDHZFJTBB-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.10
Rot. Bonds4

About 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 167901313) has the molecular formula C14H18F3N5O2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID167901313
Molecular FormulaC14H18F3N5O2S
Molecular Weight377.39 g/mol
Exact Mass377.11
IUPAC Name5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESCC1CCCc2nc(S(=O)(=O)NC(c3cnn(C)c3)C(F)(F)F)cn21
InChIInChI=1S/C14H18F3N5O2S/c1-9-4-3-5-11-19-12(8-22(9)11)25(23,24)20-13(14(15,16)17)10-6-18-21(2)7-10/h6-9,13,20H,3-5H2,1-2H3
InChIKeyTYZKYYDHZFJTBB-UHFFFAOYSA-N
XLogP2.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (CID 167901313) is 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is CC1CCCc2nc(S(=O)(=O)NC(c3cnn(C)c3)C(F)(F)F)cn21.
What is the InChIKey of 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is TYZKYYDHZFJTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2S/c1-9-4-3-5-11-19-12(8-22(9)11)25(23,24)20-13(14(15,16)17)10-6-18-21(2)7-10/h6-9,13,20H,3-5H2,1-2H3.
What are the key properties of 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 377.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 167901313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).