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

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Related Compounds

6-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-4-morpholin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71149151
4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71149556
4-morpholin-4-yl-6-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 89314245
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol
CID 137160994
1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one
CID 66557831
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]morpholine
CID 83017150
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328

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).