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

C20H19N3O2 — CID 25190886

IUPAC6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NC(COCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C20H19N3O2/c24-20-17-11-18(15-6-8-21-9-7-15)23-19(17)10-16(22-20)13-25-12-14-4-2-1-3-5-14/h1-9,11,16,23H,10,12-13H2,(H,22,24)
InChIKeyLOEVGNCWPJDTPG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.95
Rot. Bonds5

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

6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190886) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190886
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NC(COCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C20H19N3O2/c24-20-17-11-18(15-6-8-21-9-7-15)23-19(17)10-16(22-20)13-25-12-14-4-2-1-3-5-14/h1-9,11,16,23H,10,12-13H2,(H,22,24)
InChIKeyLOEVGNCWPJDTPG-UHFFFAOYSA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190886) is 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NC(COCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LOEVGNCWPJDTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20-17-11-18(15-6-8-21-9-7-15)23-19(17)10-16(22-20)13-25-12-14-4-2-1-3-5-14/h1-9,11,16,23H,10,12-13H2,(H,22,24).
What are the key properties of 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).