(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone

C20H21N3O3 — CID 71218489

IUPAC(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCCc1c[nH]c2c(Oc3ccccc3)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C20H21N3O3/c1-2-14-12-21-18-17(14)16(20(24)23-8-10-25-11-9-23)13-22-19(18)26-15-6-4-3-5-7-15/h3-7,12-13,21H,2,8-11H2,1H3
InChIKeyJCJXRIJVGGRIGO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.39
Rot. Bonds4

About (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone

(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone (PubChem CID 71218489) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone
PubChem CID71218489
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCCc1c[nH]c2c(Oc3ccccc3)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C20H21N3O3/c1-2-14-12-21-18-17(14)16(20(24)23-8-10-25-11-9-23)13-22-19(18)26-15-6-4-3-5-7-15/h3-7,12-13,21H,2,8-11H2,1H3
InChIKeyJCJXRIJVGGRIGO-UHFFFAOYSA-N
XLogP3.39
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone
CID 69327327
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone (CID 71218489) is (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone is CCc1c[nH]c2c(Oc3ccccc3)ncc(C(=O)N3CCOCC3)c12.
What is the InChIKey of (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is JCJXRIJVGGRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-14-12-21-18-17(14)16(20(24)23-8-10-25-11-9-23)13-22-19(18)26-15-6-4-3-5-7-15/h3-7,12-13,21H,2,8-11H2,1H3.
What are the key properties of (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone?
(3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-7-phenoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 71218489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).