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

C17H12ClF3N8O — CID 118095572

IUPAC6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C17H12ClF3N8O/c1-7-24-13-11(4-8(18)6-23-13)29(7)17-27-15(22)26-16(28-17)25-9-2-3-12(10(19)5-9)30-14(20)21/h2-6,14H,1H3,(H3,22,25,26,27,28)
InChIKeyGAXVAJKCUTVULA-UHFFFAOYSA-N
MW436.79 g/mol
LogP3.63
Rot. Bonds5

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

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095572) has the molecular formula C17H12ClF3N8O and a molecular weight of 436.79 g/mol. Its IUPAC name is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118095572
Molecular FormulaC17H12ClF3N8O
Molecular Weight436.79 g/mol
Exact Mass436.08
IUPAC Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C17H12ClF3N8O/c1-7-24-13-11(4-8(18)6-23-13)29(7)17-27-15(22)26-16(28-17)25-9-2-3-12(10(19)5-9)30-14(20)21/h2-6,14H,1H3,(H3,22,25,26,27,28)
InChIKeyGAXVAJKCUTVULA-UHFFFAOYSA-N
XLogP3.63
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine (CID 118095572) is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GAXVAJKCUTVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N8O/c1-7-24-13-11(4-8(18)6-23-13)29(7)17-27-15(22)26-16(28-17)25-9-2-3-12(10(19)5-9)30-14(20)21/h2-6,14H,1H3,(H3,22,25,26,27,28).
What are the key properties of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 436.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).