1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide

C13H16F3N5O2S — CID 129338623

IUPAC1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1
InChIInChI=1S/C13H16F3N5O2S/c1-20-7-10(5-17-20)24(22,23)18-4-9-2-3-12-19-11(13(14,15)16)8-21(12)6-9/h5,7-9,18H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyURKQVEFJZKOFMT-SECBINFHSA-N
MW363.37 g/mol
LogP1.18
Rot. Bonds4

About 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide

1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 129338623) has the molecular formula C13H16F3N5O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide
PubChem CID129338623
Molecular FormulaC13H16F3N5O2S
Molecular Weight363.37 g/mol
Exact Mass363.10
IUPAC Name1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1
InChIInChI=1S/C13H16F3N5O2S/c1-20-7-10(5-17-20)24(22,23)18-4-9-2-3-12-19-11(13(14,15)16)8-21(12)6-9/h5,7-9,18H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyURKQVEFJZKOFMT-SECBINFHSA-N
XLogP1.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide (CID 129338623) is 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1.
What is the InChIKey of 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is URKQVEFJZKOFMT-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3N5O2S/c1-20-7-10(5-17-20)24(22,23)18-4-9-2-3-12-19-11(13(14,15)16)8-21(12)6-9/h5,7-9,18H,2-4,6H2,1H3/t9-/m1/s1.
What are the key properties of 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide?
1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 363.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 129338623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).