2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C16H16F3N5O4S — CID 134466810

IUPAC2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C16H16F3N5O4S/c1-4-29(26,27)9-5-6-11(20)22-12(9)14-21-8-7-10(16(17,18)19)24(28-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3,(H2,20,22)
InChIKeyDSCMOYMIJXZAFZ-UHFFFAOYSA-N
MW431.40 g/mol
LogP1.25
Rot. Bonds4

About 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 134466810) has the molecular formula C16H16F3N5O4S and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID134466810
Molecular FormulaC16H16F3N5O4S
Molecular Weight431.40 g/mol
Exact Mass431.09
IUPAC Name2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C16H16F3N5O4S/c1-4-29(26,27)9-5-6-11(20)22-12(9)14-21-8-7-10(16(17,18)19)24(28-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3,(H2,20,22)
InChIKeyDSCMOYMIJXZAFZ-UHFFFAOYSA-N
XLogP1.25
TPSA122.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 134466810) is 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C.
What is the InChIKey of 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is DSCMOYMIJXZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O4S/c1-4-29(26,27)9-5-6-11(20)22-12(9)14-21-8-7-10(16(17,18)19)24(28-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3,(H2,20,22).
What are the key properties of 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 431.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-ethylsulfonyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 134466810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).