1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea

C19H21F3N6O4S — CID 134410443

IUPAC1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NCCOC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N6O4S/c1-4-33(30,31)13-5-6-15(27-18(29)23-7-8-32-3)26-16(13)17-25-11-9-14(19(20,21)22)24-10-12(11)28(17)2/h5-6,9-10H,4,7-8H2,1-3H3,(H2,23,26,27,29)
InChIKeyNPHVDTXXJMOTTF-UHFFFAOYSA-N
MW486.48 g/mol
LogP2.61
Rot. Bonds7

About 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea

1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea (PubChem CID 134410443) has the molecular formula C19H21F3N6O4S and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea
PubChem CID134410443
Molecular FormulaC19H21F3N6O4S
Molecular Weight486.48 g/mol
Exact Mass486.13
IUPAC Name1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NCCOC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N6O4S/c1-4-33(30,31)13-5-6-15(27-18(29)23-7-8-32-3)26-16(13)17-25-11-9-14(19(20,21)22)24-10-12(11)28(17)2/h5-6,9-10H,4,7-8H2,1-3H3,(H2,23,26,27,29)
InChIKeyNPHVDTXXJMOTTF-UHFFFAOYSA-N
XLogP2.61
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methylsulfonylethyl)urea
CID 134410428
1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
CID 158261625
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430733
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 142621010
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 142621003
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 158048184
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
CID 148534407
5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;methanesulfinate
CID 159120997
N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
CID 134167191

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea (CID 134410443) is 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea is CCS(=O)(=O)c1ccc(NC(=O)NCCOC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea?
The InChIKey is NPHVDTXXJMOTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O4S/c1-4-33(30,31)13-5-6-15(27-18(29)23-7-8-32-3)26-16(13)17-25-11-9-14(19(20,21)22)24-10-12(11)28(17)2/h5-6,9-10H,4,7-8H2,1-3H3,(H2,23,26,27,29).
What are the key properties of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea?
1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea has a molecular weight of 486.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 134410443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).