6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C22H25N5O2 — CID 71149108

IUPAC6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc2c(c1)nc(CCN1Cc3nccc(N4CCOCC4)c3C1=O)n2C
InChIInChI=1S/C22H25N5O2/c1-15-3-4-18-16(13-15)24-20(25(18)2)6-8-27-14-17-21(22(27)28)19(5-7-23-17)26-9-11-29-12-10-26/h3-5,7,13H,6,8-12,14H2,1-2H3
InChIKeyXFRJXCGZRFKIAC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.31
Rot. Bonds4

About 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one

6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 71149108) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID71149108
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc2c(c1)nc(CCN1Cc3nccc(N4CCOCC4)c3C1=O)n2C
InChIInChI=1S/C22H25N5O2/c1-15-3-4-18-16(13-15)24-20(25(18)2)6-8-27-14-17-21(22(27)28)19(5-7-23-17)26-9-11-29-12-10-26/h3-5,7,13H,6,8-12,14H2,1-2H3
InChIKeyXFRJXCGZRFKIAC-UHFFFAOYSA-N
XLogP2.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 71149108) is 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc2c(c1)nc(CCN1Cc3nccc(N4CCOCC4)c3C1=O)n2C.
What is the InChIKey of 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XFRJXCGZRFKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-3-4-18-16(13-15)24-20(25(18)2)6-8-27-14-17-21(22(27)28)19(5-7-23-17)26-9-11-29-12-10-26/h3-5,7,13H,6,8-12,14H2,1-2H3.
What are the key properties of 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 391.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 71149108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).