N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide

C19H20F3N5O3S — CID 122485823

IUPACN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(C)C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H20F3N5O3S/c1-5-31(29,30)13-6-7-15(26-18(28)10(2)3)25-16(13)17-24-11-8-14(19(20,21)22)23-9-12(11)27(17)4/h6-10H,5H2,1-4H3,(H,25,26,28)
InChIKeyDAFUILBUYVEBNZ-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.44
Rot. Bonds5

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

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 122485823) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide
PubChem CID122485823
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(C)C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H20F3N5O3S/c1-5-31(29,30)13-6-7-15(26-18(28)10(2)3)25-16(13)17-24-11-8-14(19(20,21)22)23-9-12(11)27(17)4/h6-10H,5H2,1-4H3,(H,25,26,28)
InChIKeyDAFUILBUYVEBNZ-UHFFFAOYSA-N
XLogP3.44
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide (CID 122485823) is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide is CCS(=O)(=O)c1ccc(NC(=O)C(C)C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is DAFUILBUYVEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-5-31(29,30)13-6-7-15(26-18(28)10(2)3)25-16(13)17-24-11-8-14(19(20,21)22)23-9-12(11)27(17)4/h6-10H,5H2,1-4H3,(H,25,26,28).
What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide?
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 455.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 122485823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).