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

C15H20F3N5O2S — CID 129336925

IUPAC1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1
InChIInChI=1S/C15H20F3N5O2S/c1-10(2)23-8-14(19-9-23)26(24,25)20-5-11-3-4-13-21-12(15(16,17)18)7-22(13)6-11/h7-11,20H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyRNRUJPRUOUCGEG-NSHDSACASA-N
MW391.42 g/mol
LogP2.22
Rot. Bonds5

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

1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide (PubChem CID 129336925) has the molecular formula C15H20F3N5O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
PubChem CID129336925
Molecular FormulaC15H20F3N5O2S
Molecular Weight391.42 g/mol
Exact Mass391.13
IUPAC Name1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1
InChIInChI=1S/C15H20F3N5O2S/c1-10(2)23-8-14(19-9-23)26(24,25)20-5-11-3-4-13-21-12(15(16,17)18)7-22(13)6-11/h7-11,20H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyRNRUJPRUOUCGEG-NSHDSACASA-N
XLogP2.22
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide (CID 129336925) is 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1.
What is the InChIKey of 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The InChIKey is RNRUJPRUOUCGEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N5O2S/c1-10(2)23-8-14(19-9-23)26(24,25)20-5-11-3-4-13-21-12(15(16,17)18)7-22(13)6-11/h7-11,20H,3-6H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide has a molecular weight of 391.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 129336925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).