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

C14H11FN2O — CID 121190848

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2cccnc2C1
InChIInChI=1S/C14H11FN2O/c15-12-5-3-10(4-6-12)14(18)17-8-11-2-1-7-16-13(11)9-17/h1-7H,8-9H2
InChIKeyHXYKSUAFBPQVKF-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.38
Rot. Bonds1

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

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone (PubChem CID 121190848) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone
PubChem CID121190848
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2cccnc2C1
InChIInChI=1S/C14H11FN2O/c15-12-5-3-10(4-6-12)14(18)17-8-11-2-1-7-16-13(11)9-17/h1-7H,8-9H2
InChIKeyHXYKSUAFBPQVKF-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone (CID 121190848) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1Cc2cccnc2C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone?
The InChIKey is HXYKSUAFBPQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-5-3-10(4-6-12)14(18)17-8-11-2-1-7-16-13(11)9-17/h1-7H,8-9H2.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone has a molecular weight of 242.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 121190848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).