2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

C20H21N3O3 — CID 134804973

IUPAC2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c24-13-14-2-1-3-15(8-14)16-9-18-17(12-22-20(18)21-11-16)10-19(25)23-4-6-26-7-5-23/h1-3,8-9,11-12,24H,4-7,10,13H2,(H,21,22)
InChIKeyUMZVDIWKXSKVPP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.12
Rot. Bonds4

About 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone

2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 134804973) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
PubChem CID134804973
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c24-13-14-2-1-3-15(8-14)16-9-18-17(12-22-20(18)21-11-16)10-19(25)23-4-6-26-7-5-23/h1-3,8-9,11-12,24H,4-7,10,13H2,(H,21,22)
InChIKeyUMZVDIWKXSKVPP-UHFFFAOYSA-N
XLogP2.12
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (CID 134804973) is 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12)N1CCOCC1.
What is the InChIKey of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is UMZVDIWKXSKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-13-14-2-1-3-15(8-14)16-9-18-17(12-22-20(18)21-11-16)10-19(25)23-4-6-26-7-5-23/h1-3,8-9,11-12,24H,4-7,10,13H2,(H,21,22).
What are the key properties of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 351.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).