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

C12H14N2O2 — CID 121184532

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1Cc2cccnc2C1
InChIInChI=1S/C12H14N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-2,4,10H,3,5-8H2
InChIKeyFMYPOTRAKCPDDR-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds1

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

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone (PubChem CID 121184532) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
PubChem CID121184532
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1Cc2cccnc2C1
InChIInChI=1S/C12H14N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-2,4,10H,3,5-8H2
InChIKeyFMYPOTRAKCPDDR-UHFFFAOYSA-N
XLogP0.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
[(3S)-oxan-3-yl]-(5-pyridin-2-ylsulfanyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)methanone
CID 142437273
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone
CID 97383629
oxan-3-yl-(5-pyridin-2-ylsulfanyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)methanone
CID 139306646
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone (CID 121184532) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone is O=C(C1CCOC1)N1Cc2cccnc2C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone?
The InChIKey is FMYPOTRAKCPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(10-3-5-16-8-10)14-6-9-2-1-4-13-11(9)7-14/h1-2,4,10H,3,5-8H2.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone has a molecular weight of 218.26 g/mol, XLogP of 0.96, 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(oxolan-3-yl)methanone is sourced from PubChem (CID 121184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).