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

C21H19N7O2 — CID 90644317

IUPAC3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccnc2c1nc(CCn1c(=O)n(C)c3nccnc31)n2-c1ccccc1
InChIInChI=1S/C21H19N7O2/c1-26-19-20(24-12-11-23-19)27(21(26)29)13-9-16-25-17-15(30-2)8-10-22-18(17)28(16)14-6-4-3-5-7-14/h3-8,10-12H,9,13H2,1-2H3
InChIKeyKDNTXPYKAVUAQU-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.12
Rot. Bonds5

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

3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one (PubChem CID 90644317) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one
PubChem CID90644317
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccnc2c1nc(CCn1c(=O)n(C)c3nccnc31)n2-c1ccccc1
InChIInChI=1S/C21H19N7O2/c1-26-19-20(24-12-11-23-19)27(21(26)29)13-9-16-25-17-15(30-2)8-10-22-18(17)28(16)14-6-4-3-5-7-14/h3-8,10-12H,9,13H2,1-2H3
InChIKeyKDNTXPYKAVUAQU-UHFFFAOYSA-N
XLogP2.12
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one (CID 90644317) is 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one is COc1ccnc2c1nc(CCn1c(=O)n(C)c3nccnc31)n2-c1ccccc1.
What is the InChIKey of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one?
The InChIKey is KDNTXPYKAVUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-26-19-20(24-12-11-23-19)27(21(26)29)13-9-16-25-17-15(30-2)8-10-22-18(17)28(16)14-6-4-3-5-7-14/h3-8,10-12H,9,13H2,1-2H3.
What are the key properties of 3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one?
3-[2-(7-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one has a molecular weight of 401.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 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-methylimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 90644317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).