1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride

C19H26ClN3O3 — CID 171700060

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride
SMILESCC1CN(C(=O)Cn2c([C@@H]3CCCO3)cc3cccnc32)CC(C)O1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13-10-21(11-14(2)25-13)18(23)12-22-16(17-6-4-8-24-17)9-15-5-3-7-20-19(15)22;/h3,5,7,9,13-14,17H,4,6,8,10-12H2,1-2H3;1H/t13?,14?,17-;/m0./s1
InChIKeyQJSJNRYZAGTABP-QCZYXMHBSA-N
MW379.89 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride

1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride (PubChem CID 171700060) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride
PubChem CID171700060
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride
SMILESCC1CN(C(=O)Cn2c([C@@H]3CCCO3)cc3cccnc32)CC(C)O1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-13-10-21(11-14(2)25-13)18(23)12-22-16(17-6-4-8-24-17)9-15-5-3-7-20-19(15)22;/h3,5,7,9,13-14,17H,4,6,8,10-12H2,1-2H3;1H/t13?,14?,17-;/m0./s1
InChIKeyQJSJNRYZAGTABP-QCZYXMHBSA-N
XLogP2.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(difluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 92584371
4-[2-[2-[(2R)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethyl]morpholine;hydrochloride
CID 127022714
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetamide
CID 51592701
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
CID 22617809
N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433196
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-2-ylsulfanylethanone
CID 25337251
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-isoquinolin-1-ylsulfanylethanone
CID 27235556
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride (CID 171700060) is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride is CC1CN(C(=O)Cn2c([C@@H]3CCCO3)cc3cccnc32)CC(C)O1.Cl.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride?
The InChIKey is QJSJNRYZAGTABP-QCZYXMHBSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-13-10-21(11-14(2)25-13)18(23)12-22-16(17-6-4-8-24-17)9-15-5-3-7-20-19(15)22;/h3,5,7,9,13-14,17H,4,6,8,10-12H2,1-2H3;1H/t13?,14?,17-;/m0./s1.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride?
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(2S)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 171700060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).