3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one

C18H20N4O2 — CID 166307850

IUPAC3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc2[nH]ccc2c1)N1CCOC(c2cn[nH]c2)C1
InChIInChI=1S/C18H20N4O2/c23-18(4-2-13-1-3-16-14(9-13)5-6-19-16)22-7-8-24-17(12-22)15-10-20-21-11-15/h1,3,5-6,9-11,17,19H,2,4,7-8,12H2,(H,20,21)
InChIKeyRKOHCXVKDPMBPU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.42
Rot. Bonds4

About 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one

3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one (PubChem CID 166307850) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
PubChem CID166307850
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc2[nH]ccc2c1)N1CCOC(c2cn[nH]c2)C1
InChIInChI=1S/C18H20N4O2/c23-18(4-2-13-1-3-16-14(9-13)5-6-19-16)22-7-8-24-17(12-22)15-10-20-21-11-15/h1,3,5-6,9-11,17,19H,2,4,7-8,12H2,(H,20,21)
InChIKeyRKOHCXVKDPMBPU-UHFFFAOYSA-N
XLogP2.42
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
2-(1H-indol-5-yl)-4-(1H-pyrazol-4-yl)morpholine
CID 141218979
3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326138
3-(1H-indol-5-yl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129004636
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
1-[(6R)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-methoxyethanone
CID 124974553
1-[(6S)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-methoxyethanone
CID 124974552
N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 131937541
1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 154752193
3-(3-chloro-4-methylphenyl)-1-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]morpholin-4-yl]propan-1-one
CID 167968222

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one (CID 166307850) is 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one is O=C(CCc1ccc2[nH]ccc2c1)N1CCOC(c2cn[nH]c2)C1.
What is the InChIKey of 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
The InChIKey is RKOHCXVKDPMBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(4-2-13-1-3-16-14(9-13)5-6-19-16)22-7-8-24-17(12-22)15-10-20-21-11-15/h1,3,5-6,9-11,17,19H,2,4,7-8,12H2,(H,20,21).
What are the key properties of 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one?
3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one has a molecular weight of 324.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 166307850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).