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

C21H24F3N5O3S — CID 151576952

IUPACN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCCS(=O)(=O)c1cc(N(C)C(=O)C(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H24F3N5O3S/c1-7-33(31,32)15-8-12(28(5)19(30)20(2,3)4)10-26-17(15)18-27-13-9-16(21(22,23)24)25-11-14(13)29(18)6/h8-11H,7H2,1-6H3
InChIKeyQFQPESITMNLNCG-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.85
Rot. Bonds4

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

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide (PubChem CID 151576952) has the molecular formula C21H24F3N5O3S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide
PubChem CID151576952
Molecular FormulaC21H24F3N5O3S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCCS(=O)(=O)c1cc(N(C)C(=O)C(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H24F3N5O3S/c1-7-33(31,32)15-8-12(28(5)19(30)20(2,3)4)10-26-17(15)18-27-13-9-16(21(22,23)24)25-11-14(13)29(18)6/h8-11H,7H2,1-6H3
InChIKeyQFQPESITMNLNCG-UHFFFAOYSA-N
XLogP3.85
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
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]-3-pyridinyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide (CID 151576952) is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide is CCS(=O)(=O)c1cc(N(C)C(=O)C(C)(C)C)cnc1-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]-3-pyridinyl]-N,2,2-trimethylpropanamide?
The InChIKey is QFQPESITMNLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3S/c1-7-33(31,32)15-8-12(28(5)19(30)20(2,3)4)10-26-17(15)18-27-13-9-16(21(22,23)24)25-11-14(13)29(18)6/h8-11H,7H2,1-6H3.
What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide?
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-N,2,2-trimethylpropanamide has a molecular weight of 483.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 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]-3-pyridinyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 151576952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).