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

C19H19N3O3 — CID 134807751

IUPAC2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3cccc(O)c3)cc12)N1CCOCC1
InChIInChI=1S/C19H19N3O3/c23-16-3-1-2-13(8-16)14-9-17-15(12-21-19(17)20-11-14)10-18(24)22-4-6-25-7-5-22/h1-3,8-9,11-12,23H,4-7,10H2,(H,20,21)
InChIKeyPQRXWWCBGJGILV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.34
Rot. Bonds3

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

2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 134807751) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
PubChem CID134807751
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1c[nH]c2ncc(-c3cccc(O)c3)cc12)N1CCOCC1
InChIInChI=1S/C19H19N3O3/c23-16-3-1-2-13(8-16)14-9-17-15(12-21-19(17)20-11-14)10-18(24)22-4-6-25-7-5-22/h1-3,8-9,11-12,23H,4-7,10H2,(H,20,21)
InChIKeyPQRXWWCBGJGILV-UHFFFAOYSA-N
XLogP2.34
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone (CID 134807751) is 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1c[nH]c2ncc(-c3cccc(O)c3)cc12)N1CCOCC1.
What is the InChIKey of 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is PQRXWWCBGJGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-16-3-1-2-13(8-16)14-9-17-15(12-21-19(17)20-11-14)10-18(24)22-4-6-25-7-5-22/h1-3,8-9,11-12,23H,4-7,10H2,(H,20,21).
What are the key properties of 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone?
2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 337.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134807751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).