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

C18H18F3N5OS — CID 142621000

IUPACN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide
SMILESCCSc1ccc(N(C)C(C)=O)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H18F3N5OS/c1-5-28-13-6-7-15(25(3)10(2)27)24-16(13)17-23-11-8-14(18(19,20)21)22-9-12(11)26(17)4/h6-9H,5H2,1-4H3
InChIKeyBFSHLQZPQVEVSV-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.14
Rot. Bonds4

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

N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide (PubChem CID 142621000) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide
PubChem CID142621000
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC NameN-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide
SMILESCCSc1ccc(N(C)C(C)=O)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H18F3N5OS/c1-5-28-13-6-7-15(25(3)10(2)27)24-16(13)17-23-11-8-14(18(19,20)21)22-9-12(11)26(17)4/h6-9H,5H2,1-4H3
InChIKeyBFSHLQZPQVEVSV-UHFFFAOYSA-N
XLogP4.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide?
The IUPAC name of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide (CID 142621000) is N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide is CCSc1ccc(N(C)C(C)=O)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide?
The InChIKey is BFSHLQZPQVEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-5-28-13-6-7-15(25(3)10(2)27)24-16(13)17-23-11-8-14(18(19,20)21)22-9-12(11)26(17)4/h6-9H,5H2,1-4H3.
What are the key properties of N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide?
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide has a molecular weight of 409.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 142621000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).