6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

C23H22N6O2 — CID 67125990

IUPAC6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cnc2c([nH]c(=O)n2-c2ccc(Oc3nc4cccnc4n3C)cc2)c1C(C)C
InChIInChI=1S/C23H22N6O2/c1-13(2)18-14(3)12-25-21-19(18)27-22(30)29(21)15-7-9-16(10-8-15)31-23-26-17-6-5-11-24-20(17)28(23)4/h5-13H,1-4H3,(H,27,30)
InChIKeyFEIBLFCNJVYBOV-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.22
Rot. Bonds4

About 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67125990) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID67125990
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cnc2c([nH]c(=O)n2-c2ccc(Oc3nc4cccnc4n3C)cc2)c1C(C)C
InChIInChI=1S/C23H22N6O2/c1-13(2)18-14(3)12-25-21-19(18)27-22(30)29(21)15-7-9-16(10-8-15)31-23-26-17-6-5-11-24-20(17)28(23)4/h5-13H,1-4H3,(H,27,30)
InChIKeyFEIBLFCNJVYBOV-UHFFFAOYSA-N
XLogP4.22
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one 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-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 67125990) is 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is Cc1cnc2c([nH]c(=O)n2-c2ccc(Oc3nc4cccnc4n3C)cc2)c1C(C)C.
What is the InChIKey of 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is FEIBLFCNJVYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-13(2)18-14(3)12-25-21-19(18)27-22(30)29(21)15-7-9-16(10-8-15)31-23-26-17-6-5-11-24-20(17)28(23)4/h5-13H,1-4H3,(H,27,30).
What are the key properties of 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 414.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(3-methylimidazo[4,5-b]pyridin-2-yl)oxyphenyl]-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67125990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).