6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol

C19H22N4O2 — CID 137160994

IUPAC6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol
SMILESCc1ccnc(CCn2cc3nccc(N4CCOCC4)c3c2O)c1
InChIInChI=1S/C19H22N4O2/c1-14-2-5-20-15(12-14)4-7-23-13-16-18(19(23)24)17(3-6-21-16)22-8-10-25-11-9-22/h2-3,5-6,12-13,24H,4,7-11H2,1H3
InChIKeyBVGPOPIPGIVYDW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.52
Rot. Bonds4

About 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol

6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137160994) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137160994
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol
SMILESCc1ccnc(CCn2cc3nccc(N4CCOCC4)c3c2O)c1
InChIInChI=1S/C19H22N4O2/c1-14-2-5-20-15(12-14)4-7-23-13-16-18(19(23)24)17(3-6-21-16)22-8-10-25-11-9-22/h2-3,5-6,12-13,24H,4,7-11H2,1H3
InChIKeyBVGPOPIPGIVYDW-UHFFFAOYSA-N
XLogP2.52
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol (CID 137160994) is 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol is Cc1ccnc(CCn2cc3nccc(N4CCOCC4)c3c2O)c1.
What is the InChIKey of 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BVGPOPIPGIVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-2-5-20-15(12-14)4-7-23-13-16-18(19(23)24)17(3-6-21-16)22-8-10-25-11-9-22/h2-3,5-6,12-13,24H,4,7-11H2,1H3.
What are the key properties of 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol?
6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 338.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137160994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).