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

C18H13ClF2N6O — CID 118095120

IUPAC6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13ClF2N6O/c1-10-24-17-14(6-11(19)7-23-17)27(10)16-9-22-8-15(26-16)25-12-2-4-13(5-3-12)28-18(20)21/h2-9,18H,1H3,(H,25,26)
InChIKeyPGLYQDBKXSXAOO-UHFFFAOYSA-N
MW402.79 g/mol
LogP4.52
Rot. Bonds5

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

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118095120) has the molecular formula C18H13ClF2N6O and a molecular weight of 402.79 g/mol. Its IUPAC name is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118095120
Molecular FormulaC18H13ClF2N6O
Molecular Weight402.79 g/mol
Exact Mass402.08
IUPAC Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H13ClF2N6O/c1-10-24-17-14(6-11(19)7-23-17)27(10)16-9-22-8-15(26-16)25-12-2-4-13(5-3-12)28-18(20)21/h2-9,18H,1H3,(H,25,26)
InChIKeyPGLYQDBKXSXAOO-UHFFFAOYSA-N
XLogP4.52
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 54.52
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)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (CID 118095120) is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is Cc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is PGLYQDBKXSXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N6O/c1-10-24-17-14(6-11(19)7-23-17)27(10)16-9-22-8-15(26-16)25-12-2-4-13(5-3-12)28-18(20)21/h2-9,18H,1H3,(H,25,26).
What are the key properties of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 402.79 g/mol, XLogP of 4.52, 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)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118095120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).