3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C23H19ClF3N5O3S — CID 22485211

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ncc(C(F)(F)F)cc4Cl)c3n2)cc1
InChIInChI=1S/C23H19ClF3N5O3S/c1-12-4-6-16(7-5-12)36(34,35)31-22(33)18-8-13(2)20-21(30-18)32(14(3)29-20)11-19-17(24)9-15(10-28-19)23(25,26)27/h4-10H,11H2,1-3H3,(H,31,33)
InChIKeySLEKUYUHBIEJFG-UHFFFAOYSA-N
MW537.95 g/mol
LogP4.59
Rot. Bonds5

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22485211) has the molecular formula C23H19ClF3N5O3S and a molecular weight of 537.95 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22485211
Molecular FormulaC23H19ClF3N5O3S
Molecular Weight537.95 g/mol
Exact Mass537.08
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ncc(C(F)(F)F)cc4Cl)c3n2)cc1
InChIInChI=1S/C23H19ClF3N5O3S/c1-12-4-6-16(7-5-12)36(34,35)31-22(33)18-8-13(2)20-21(30-18)32(14(3)29-20)11-19-17(24)9-15(10-28-19)23(25,26)27/h4-10H,11H2,1-3H3,(H,31,33)
InChIKeySLEKUYUHBIEJFG-UHFFFAOYSA-N
XLogP4.59
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.95
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22485211) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ncc(C(F)(F)F)cc4Cl)c3n2)cc1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is SLEKUYUHBIEJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O3S/c1-12-4-6-16(7-5-12)36(34,35)31-22(33)18-8-13(2)20-21(30-18)32(14(3)29-20)11-19-17(24)9-15(10-28-19)23(25,26)27/h4-10H,11H2,1-3H3,(H,31,33).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 537.95 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22485211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).