6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine

C18H12ClF3N6O — CID 118095044

IUPAC6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-9-25-17-13(4-10(19)6-24-17)28(9)16-8-23-7-15(27-16)26-11-2-3-14(12(20)5-11)29-18(21)22/h2-8,18H,1H3,(H,26,27)
InChIKeyZTSGJAARRNBPFX-UHFFFAOYSA-N
MW420.78 g/mol
LogP4.66
Rot. Bonds5

About 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine (PubChem CID 118095044) has the molecular formula C18H12ClF3N6O and a molecular weight of 420.78 g/mol. Its IUPAC name is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine
PubChem CID118095044
Molecular FormulaC18H12ClF3N6O
Molecular Weight420.78 g/mol
Exact Mass420.07
IUPAC Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-9-25-17-13(4-10(19)6-24-17)28(9)16-8-23-7-15(27-16)26-11-2-3-14(12(20)5-11)29-18(21)22/h2-8,18H,1H3,(H,26,27)
InChIKeyZTSGJAARRNBPFX-UHFFFAOYSA-N
XLogP4.66
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine (CID 118095044) is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine is Cc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine?
The InChIKey is ZTSGJAARRNBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N6O/c1-9-25-17-13(4-10(19)6-24-17)28(9)16-8-23-7-15(27-16)26-11-2-3-14(12(20)5-11)29-18(21)22/h2-8,18H,1H3,(H,26,27).
What are the key properties of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine?
6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine has a molecular weight of 420.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 118095044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).