(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone

C19H19N3O2 — CID 95790995

IUPAC(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCOCC1
InChIInChI=1S/C19H19N3O2/c23-19(21-9-11-24-12-10-21)17-14-22(13-15-5-2-1-3-6-15)18-16(17)7-4-8-20-18/h1-8,14H,9-13H2
InChIKeyOGTXRTMLHFLRSD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.56
Rot. Bonds3

About (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone

(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone (PubChem CID 95790995) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
PubChem CID95790995
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCOCC1
InChIInChI=1S/C19H19N3O2/c23-19(21-9-11-24-12-10-21)17-14-22(13-15-5-2-1-3-6-15)18-16(17)7-4-8-20-18/h1-8,14H,9-13H2
InChIKeyOGTXRTMLHFLRSD-UHFFFAOYSA-N
XLogP2.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone (CID 95790995) is (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone is O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCOCC1.
What is the InChIKey of (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is OGTXRTMLHFLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(21-9-11-24-12-10-21)17-14-22(13-15-5-2-1-3-6-15)18-16(17)7-4-8-20-18/h1-8,14H,9-13H2.
What are the key properties of (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone?
(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolo[2,3-b]pyridin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 95790995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).