1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C14H15N3O2 — CID 23585099

IUPAC1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1cc(-c1ccncc1)n2CCO
InChIInChI=1S/C14H15N3O2/c18-8-7-17-12-3-6-16-14(19)11(12)9-13(17)10-1-4-15-5-2-10/h1-2,4-5,9,18H,3,6-8H2,(H,16,19)
InChIKeyLWFINZKGSCYRMI-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.83
Rot. Bonds3

About 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585099) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585099
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1cc(-c1ccncc1)n2CCO
InChIInChI=1S/C14H15N3O2/c18-8-7-17-12-3-6-16-14(19)11(12)9-13(17)10-1-4-15-5-2-10/h1-2,4-5,9,18H,3,6-8H2,(H,16,19)
InChIKeyLWFINZKGSCYRMI-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585099) is 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1cc(-c1ccncc1)n2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LWFINZKGSCYRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-8-7-17-12-3-6-16-14(19)11(12)9-13(17)10-1-4-15-5-2-10/h1-2,4-5,9,18H,3,6-8H2,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 257.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).