1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one

C21H25N3O2 — CID 110634578

IUPAC1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H25N3O2/c25-21(5-1-3-17-4-2-9-22-16-17)24-10-8-18-15-19(6-7-20(18)24)23-11-13-26-14-12-23/h2,4,6-7,9,15-16H,1,3,5,8,10-14H2
InChIKeyVOMRGKNOHLTPGV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.83
Rot. Bonds5

About 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one (PubChem CID 110634578) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
PubChem CID110634578
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H25N3O2/c25-21(5-1-3-17-4-2-9-22-16-17)24-10-8-18-15-19(6-7-20(18)24)23-11-13-26-14-12-23/h2,4,6-7,9,15-16H,1,3,5,8,10-14H2
InChIKeyVOMRGKNOHLTPGV-UHFFFAOYSA-N
XLogP2.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
1-(6-nitro-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110427346
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167545122
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314

Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one (CID 110634578) is 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one is O=C(CCCc1cccnc1)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one?
The InChIKey is VOMRGKNOHLTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(5-1-3-17-4-2-9-22-16-17)24-10-8-18-15-19(6-7-20(18)24)23-11-13-26-14-12-23/h2,4,6-7,9,15-16H,1,3,5,8,10-14H2.
What are the key properties of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one?
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one has a molecular weight of 351.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110634578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).