3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one

C23H22N6O2 — CID 90644318

IUPAC3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc2c1nc(CCn1c(=O)n(C)c3c(C)ccnc31)n2-c1ccccc1
InChIInChI=1S/C23H22N6O2/c1-15-9-12-25-22-20(15)27(2)23(30)28(22)14-11-18-26-19-17(31-3)10-13-24-21(19)29(18)16-7-5-4-6-8-16/h4-10,12-13H,11,14H2,1-3H3
InChIKeyKNZNKADWHLAWOE-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.03
Rot. Bonds5

About 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one

3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 90644318) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID90644318
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc2c1nc(CCn1c(=O)n(C)c3c(C)ccnc31)n2-c1ccccc1
InChIInChI=1S/C23H22N6O2/c1-15-9-12-25-22-20(15)27(2)23(30)28(22)14-11-18-26-19-17(31-3)10-13-24-21(19)29(18)16-7-5-4-6-8-16/h4-10,12-13H,11,14H2,1-3H3
InChIKeyKNZNKADWHLAWOE-UHFFFAOYSA-N
XLogP3.03
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-(3-((9-ethyl-8-(6-(trifluoromethyl)pyridin-3-yl)-9H-purin-6-yl)oxy)pyrrolidin-1-yl)(3-methoxyazetidin-1-yl)methanone
CID 90166703
[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155521814
1-Benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
CID 11035880
2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10763921
4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25211596
10-Methoxy-5-methyl-3-(2-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199794
10-Methoxy-5-methyl-3-(4-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199795
10-Methoxy-5-methyl-3-(3-methyl-4-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199799
2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679674
6-(5-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290315
6-(5-Fluoro-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 68308473
6-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}-9-ethyl-8-[6-(trifluoromethyl)pyridin-3-yl]-9H-purine
CID 90166867

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one (CID 90644318) is 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one is COc1ccnc2c1nc(CCn1c(=O)n(C)c3c(C)ccnc31)n2-c1ccccc1.
What is the InChIKey of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is KNZNKADWHLAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-9-12-25-22-20(15)27(2)23(30)28(22)14-11-18-26-19-17(31-3)10-13-24-21(19)29(18)16-7-5-4-6-8-16/h4-10,12-13H,11,14H2,1-3H3.
What are the key properties of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one?
3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1,7-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 90644318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).