methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate

C24H20N4O2 — CID 122702782

IUPACmethyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(-c1cc3ccccc3n1Cc1ccccc1)n2C
InChIInChI=1S/C24H20N4O2/c1-27-22-19(12-18(14-25-22)24(29)30-2)26-23(27)21-13-17-10-6-7-11-20(17)28(21)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyDPYWTDFSDQYIHS-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.42
Rot. Bonds4

About methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate

methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 122702782) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID122702782
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Namemethyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(-c1cc3ccccc3n1Cc1ccccc1)n2C
InChIInChI=1S/C24H20N4O2/c1-27-22-19(12-18(14-25-22)24(29)30-2)26-23(27)21-13-17-10-6-7-11-20(17)28(21)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyDPYWTDFSDQYIHS-UHFFFAOYSA-N
XLogP4.42
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate (CID 122702782) is methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(c1)nc(-c1cc3ccccc3n1Cc1ccccc1)n2C.
What is the InChIKey of methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is DPYWTDFSDQYIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-27-22-19(12-18(14-25-22)24(29)30-2)26-23(27)21-13-17-10-6-7-11-20(17)28(21)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 122702782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).