N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide

C17H16F3N5O3S — CID 121397939

IUPACN-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide
SMILESCCS(=O)(=O)c1cc(NC=O)c(N)cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-3-29(27,28)14-5-11(23-8-26)10(21)4-9(14)16-24-12-6-15(17(18,19)20)22-7-13(12)25(16)2/h4-8H,3,21H2,1-2H3,(H,23,26)
InChIKeyVQJMMBKQRFVMNP-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.60
Rot. Bonds5

About N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide

N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide (PubChem CID 121397939) has the molecular formula C17H16F3N5O3S and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide
PubChem CID121397939
Molecular FormulaC17H16F3N5O3S
Molecular Weight427.41 g/mol
Exact Mass427.09
IUPAC NameN-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide
SMILESCCS(=O)(=O)c1cc(NC=O)c(N)cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-3-29(27,28)14-5-11(23-8-26)10(21)4-9(14)16-24-12-6-15(17(18,19)20)22-7-13(12)25(16)2/h4-8H,3,21H2,1-2H3,(H,23,26)
InChIKeyVQJMMBKQRFVMNP-UHFFFAOYSA-N
XLogP2.60
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide?
The IUPAC name of N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide (CID 121397939) is N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide.
What is the SMILES notation for N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide?
The canonical SMILES for N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide is CCS(=O)(=O)c1cc(NC=O)c(N)cc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide?
The InChIKey is VQJMMBKQRFVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S/c1-3-29(27,28)14-5-11(23-8-26)10(21)4-9(14)16-24-12-6-15(17(18,19)20)22-7-13(12)25(16)2/h4-8H,3,21H2,1-2H3,(H,23,26).
What are the key properties of N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide?
N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide has a molecular weight of 427.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]formamide is sourced from PubChem (CID 121397939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).