[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C16H16N4O2 — CID 154772530

IUPAC[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(O)(c4ccn[nH]4)C3)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c1-10-2-3-11-7-13(18-12(11)6-10)15(21)20-8-16(22,9-20)14-4-5-17-19-14/h2-7,18,22H,8-9H2,1H3,(H,17,19)
InChIKeyJXWWLVRGNYNUSE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.54
Rot. Bonds2

About [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 154772530) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
PubChem CID154772530
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(O)(c4ccn[nH]4)C3)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c1-10-2-3-11-7-13(18-12(11)6-10)15(21)20-8-16(22,9-20)14-4-5-17-19-14/h2-7,18,22H,8-9H2,1H3,(H,17,19)
InChIKeyJXWWLVRGNYNUSE-UHFFFAOYSA-N
XLogP1.54
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 154772530) is [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CC(O)(c4ccn[nH]4)C3)[nH]c2c1.
What is the InChIKey of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is JXWWLVRGNYNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-2-3-11-7-13(18-12(11)6-10)15(21)20-8-16(22,9-20)14-4-5-17-19-14/h2-7,18,22H,8-9H2,1H3,(H,17,19).
What are the key properties of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 296.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 154772530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).