N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine

C20H18F3N7S — CID 139421048

IUPACN-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine
SMILESC=C(c1cnc(Sc2nc3cc(C(F)(F)F)cnc3n2C)n1C)N(C)c1cccnc1
InChIInChI=1S/C20H18F3N7S/c1-12(28(2)14-6-5-7-24-10-14)16-11-26-18(29(16)3)31-19-27-15-8-13(20(21,22)23)9-25-17(15)30(19)4/h5-11H,1H2,2-4H3
InChIKeyFISDBNAAWZFZQH-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine

N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine (PubChem CID 139421048) has the molecular formula C20H18F3N7S and a molecular weight of 445.47 g/mol. Its IUPAC name is N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine
PubChem CID139421048
Molecular FormulaC20H18F3N7S
Molecular Weight445.47 g/mol
Exact Mass445.13
IUPAC NameN-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine
SMILESC=C(c1cnc(Sc2nc3cc(C(F)(F)F)cnc3n2C)n1C)N(C)c1cccnc1
InChIInChI=1S/C20H18F3N7S/c1-12(28(2)14-6-5-7-24-10-14)16-11-26-18(29(16)3)31-19-27-15-8-13(20(21,22)23)9-25-17(15)30(19)4/h5-11H,1H2,2-4H3
InChIKeyFISDBNAAWZFZQH-UHFFFAOYSA-N
XLogP4.37
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine (CID 139421048) is N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine is C=C(c1cnc(Sc2nc3cc(C(F)(F)F)cnc3n2C)n1C)N(C)c1cccnc1.
What is the InChIKey of N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine?
The InChIKey is FISDBNAAWZFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7S/c1-12(28(2)14-6-5-7-24-10-14)16-11-26-18(29(16)3)31-19-27-15-8-13(20(21,22)23)9-25-17(15)30(19)4/h5-11H,1H2,2-4H3.
What are the key properties of N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine?
N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine has a molecular weight of 445.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylimidazol-4-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 139421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).