N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

C20H22F3N5O3S — CID 78324486

IUPACN-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)NC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H22F3N5O3S/c1-6-32(30,31)14-7-11(18(29)27-19(2,3)4)9-24-15(14)17-26-13-8-12(20(21,22)23)10-25-16(13)28(17)5/h7-10H,6H2,1-5H3,(H,27,29)
InChIKeyRHTBLQGTONUPFO-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.37
Rot. Bonds4

About N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 78324486) has the molecular formula C20H22F3N5O3S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID78324486
Molecular FormulaC20H22F3N5O3S
Molecular Weight469.49 g/mol
Exact Mass469.14
IUPAC NameN-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)NC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H22F3N5O3S/c1-6-32(30,31)14-7-11(18(29)27-19(2,3)4)9-24-15(14)17-26-13-8-12(20(21,22)23)10-25-16(13)28(17)5/h7-10H,6H2,1-5H3,(H,27,29)
InChIKeyRHTBLQGTONUPFO-UHFFFAOYSA-N
XLogP3.37
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (CID 78324486) is N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is CCS(=O)(=O)c1cc(C(=O)NC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is RHTBLQGTONUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3S/c1-6-32(30,31)14-7-11(18(29)27-19(2,3)4)9-24-15(14)17-26-13-8-12(20(21,22)23)10-25-16(13)28(17)5/h7-10H,6H2,1-5H3,(H,27,29).
What are the key properties of N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 78324486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).