6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

C17H13BrF2N8O — CID 118095518

IUPAC6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncc(Br)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H13BrF2N8O/c1-8-23-13-12(6-9(18)7-22-13)28(8)17-26-15(21)25-16(27-17)24-10-2-4-11(5-3-10)29-14(19)20/h2-7,14H,1H3,(H3,21,24,25,26,27)
InChIKeyORHXRINTPKTXTI-UHFFFAOYSA-N
MW463.25 g/mol
LogP3.60
Rot. Bonds5

About 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095518) has the molecular formula C17H13BrF2N8O and a molecular weight of 463.25 g/mol. Its IUPAC name is 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118095518
Molecular FormulaC17H13BrF2N8O
Molecular Weight463.25 g/mol
Exact Mass462.04
IUPAC Name6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncc(Br)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H13BrF2N8O/c1-8-23-13-12(6-9(18)7-22-13)28(8)17-26-15(21)25-16(27-17)24-10-2-4-11(5-3-10)29-14(19)20/h2-7,14H,1H3,(H3,21,24,25,26,27)
InChIKeyORHXRINTPKTXTI-UHFFFAOYSA-N
XLogP3.60
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 118095518) is 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2ncc(Br)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ORHXRINTPKTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N8O/c1-8-23-13-12(6-9(18)7-22-13)28(8)17-26-15(21)25-16(27-17)24-10-2-4-11(5-3-10)29-14(19)20/h2-7,14H,1H3,(H3,21,24,25,26,27).
What are the key properties of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 463.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).