1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone

C15H19N3O — CID 160507891

IUPAC1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2cc3ccc(C(C)C)cc3n2)C1
InChIInChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-18(16-15(13)6-12)14-8-17(9-14)11(3)19/h4-7,10,14H,8-9H2,1-3H3
InChIKeyVSJGNCFEBUNCCW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds2

About 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone

1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone (PubChem CID 160507891) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone
PubChem CID160507891
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2cc3ccc(C(C)C)cc3n2)C1
InChIInChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-18(16-15(13)6-12)14-8-17(9-14)11(3)19/h4-7,10,14H,8-9H2,1-3H3
InChIKeyVSJGNCFEBUNCCW-UHFFFAOYSA-N
XLogP2.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-propan-2-ylindazole
CID 158645182
1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone
CID 153308049
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
CID 155437767
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
2-(4-fluorophenyl)-6-propan-2-ylindazole
CID 118874734
2,8-di(propan-2-yl)phenazine
CID 70800003
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171503854
6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
CID 68611732
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
CID 170350438
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone (CID 160507891) is 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(n2cc3ccc(C(C)C)cc3n2)C1.
What is the InChIKey of 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone?
The InChIKey is VSJGNCFEBUNCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-18(16-15(13)6-12)14-8-17(9-14)11(3)19/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone?
1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 160507891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).