6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one

C44H35N9O2 — CID 71152177

IUPAC6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESO=C1c2nccc(-c3ccncc3)c2CN1CCc1ccc2ccccc2n1.O=C1c2nccc(-c3ccncc3)c2CN1CCc1cn2ccccc2n1
InChIInChI=1S/C23H18N4O.C21H17N5O/c28-23-22-20(19(9-13-25-22)16-7-11-24-12-8-16)15-27(23)14-10-18-6-5-17-3-1-2-4-21(17)26-18;27-21-20-18(17(6-10-23-20)15-4-8-22-9-5-15)14-26(21)12-7-16-13-25-11-2-1-3-19(25)24-16/h1-9,11-13H,10,14-15H2;1-6,8-11,13H,7,12,14H2
InChIKeyUDDPOMBKCVMYDZ-UHFFFAOYSA-N
MW721.83 g/mol
LogP6.88
Rot. Bonds8

About 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one

6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 71152177) has the molecular formula C44H35N9O2 and a molecular weight of 721.83 g/mol. Its IUPAC name is 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID71152177
Molecular FormulaC44H35N9O2
Molecular Weight721.83 g/mol
Exact Mass721.29
IUPAC Name6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESO=C1c2nccc(-c3ccncc3)c2CN1CCc1ccc2ccccc2n1.O=C1c2nccc(-c3ccncc3)c2CN1CCc1cn2ccccc2n1
InChIInChI=1S/C23H18N4O.C21H17N5O/c28-23-22-20(19(9-13-25-22)16-7-11-24-12-8-16)15-27(23)14-10-18-6-5-17-3-1-2-4-21(17)26-18;27-21-20-18(17(6-10-23-20)15-4-8-22-9-5-15)14-26(21)12-7-16-13-25-11-2-1-3-19(25)24-16/h1-9,11-13H,10,14-15H2;1-6,8-11,13H,7,12,14H2
InChIKeyUDDPOMBKCVMYDZ-UHFFFAOYSA-N
XLogP6.88
TPSA122.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.83
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one (CID 71152177) is 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one is O=C1c2nccc(-c3ccncc3)c2CN1CCc1ccc2ccccc2n1.O=C1c2nccc(-c3ccncc3)c2CN1CCc1cn2ccccc2n1.
What is the InChIKey of 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is UDDPOMBKCVMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O.C21H17N5O/c28-23-22-20(19(9-13-25-22)16-7-11-24-12-8-16)15-27(23)14-10-18-6-5-17-3-1-2-4-21(17)26-18;27-21-20-18(17(6-10-23-20)15-4-8-22-9-5-15)14-26(21)12-7-16-13-25-11-2-1-3-19(25)24-16/h1-9,11-13H,10,14-15H2;1-6,8-11,13H,7,12,14H2.
What are the key properties of 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 721.83 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 71152177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).