2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C22H17N3O — CID 16719974

IUPAC2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C22H17N3O/c26-22-18-13-21(25-19(18)8-10-24-22)17-7-9-23-20(12-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-13,25H,8,10H2,(H,24,26)
InChIKeyKFKHBBOHNLPMPG-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.18
Rot. Bonds2

About 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16719974) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16719974
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C22H17N3O/c26-22-18-13-21(25-19(18)8-10-24-22)17-7-9-23-20(12-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-13,25H,8,10H2,(H,24,26)
InChIKeyKFKHBBOHNLPMPG-UHFFFAOYSA-N
XLogP4.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16719974) is 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KFKHBBOHNLPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22-18-13-21(25-19(18)8-10-24-22)17-7-9-23-20(12-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-13,25H,8,10H2,(H,24,26).
What are the key properties of 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 339.40 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16719974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).