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

C20H22F3N5OS — CID 144680990

IUPACN,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCSc1cc(C(=O)N(CC)CC)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H22F3N5OS/c1-5-28(6-2)19(29)12-8-15(30-7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3
InChIKeyMNJHFJTZTRQMEW-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.64
Rot. Bonds6

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

N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 144680990) has the molecular formula C20H22F3N5OS and a molecular weight of 437.49 g/mol. Its IUPAC name is N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID144680990
Molecular FormulaC20H22F3N5OS
Molecular Weight437.49 g/mol
Exact Mass437.15
IUPAC NameN,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCSc1cc(C(=O)N(CC)CC)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H22F3N5OS/c1-5-28(6-2)19(29)12-8-15(30-7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3
InChIKeyMNJHFJTZTRQMEW-UHFFFAOYSA-N
XLogP4.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (CID 144680990) is N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is CCSc1cc(C(=O)N(CC)CC)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is MNJHFJTZTRQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5OS/c1-5-28(6-2)19(29)12-8-15(30-7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 144680990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).