7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C18H15N3O — CID 25190891

IUPAC7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(c2ccccc2)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C18H15N3O/c22-18-14-10-16(13-6-8-19-9-7-13)21-17(14)15(11-20-18)12-4-2-1-3-5-12/h1-10,15,21H,11H2,(H,20,22)
InChIKeyYTGMXIBZURMLHW-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.95
Rot. Bonds2

About 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190891) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190891
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(c2ccccc2)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C18H15N3O/c22-18-14-10-16(13-6-8-19-9-7-13)21-17(14)15(11-20-18)12-4-2-1-3-5-12/h1-10,15,21H,11H2,(H,20,22)
InChIKeyYTGMXIBZURMLHW-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190891) is 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCC(c2ccccc2)c2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YTGMXIBZURMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-14-10-16(13-6-8-19-9-7-13)21-17(14)15(11-20-18)12-4-2-1-3-5-12/h1-10,15,21H,11H2,(H,20,22).
What are the key properties of 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 289.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).