5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone

C12H10N2O2 — CID 121184528

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1Cc2cccnc2C1
InChIInChI=1S/C12H10N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-5,8H,6-7H2
InChIKeyWCVICJMHSXLMKH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.83
Rot. Bonds1

About 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone (PubChem CID 121184528) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
PubChem CID121184528
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1Cc2cccnc2C1
InChIInChI=1S/C12H10N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-5,8H,6-7H2
InChIKeyWCVICJMHSXLMKH-UHFFFAOYSA-N
XLogP1.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
CID 121184533
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 121190939
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
CID 121184532
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
methyl 2-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)benzoate
CID 121191028
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191124
(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone (CID 121184528) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone is O=C(c1ccoc1)N1Cc2cccnc2C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone?
The InChIKey is WCVICJMHSXLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-5,8H,6-7H2.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone has a molecular weight of 214.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone is sourced from PubChem (CID 121184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).