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

C15H19N3O — CID 153308049

IUPAC1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2ncc3ccc(C(C)C)cc32)C1
InChIInChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-16-18(15(13)6-12)14-8-17(9-14)11(3)19/h4-7,10,14H,8-9H2,1-3H3
InChIKeyQXHQVSQKSCNYQT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds2

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

1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 153308049) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone
PubChem CID153308049
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2ncc3ccc(C(C)C)cc32)C1
InChIInChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-16-18(15(13)6-12)14-8-17(9-14)11(3)19/h4-7,10,14H,8-9H2,1-3H3
InChIKeyQXHQVSQKSCNYQT-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

1-[3-(6-propan-2-ylindazol-2-yl)azetidin-1-yl]ethanone
CID 160507891
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080
1-(azetidin-3-yl)-5-propan-2-ylindazole
CID 164739214
1-(1-methylazetidin-3-yl)indazol-6-ol
CID 170394619
methyl 1-methyl-6-propan-2-ylindole-2-carboxylate
CID 169494744
6-methyl-1-(thietan-3-yl)indazole
CID 142573466
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367873
1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone
CID 166104571
2-(1-methylindazol-6-yl)propan-1-ol
CID 117281911
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-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone (CID 153308049) is 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(n2ncc3ccc(C(C)C)cc32)C1.
What is the InChIKey of 1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is QXHQVSQKSCNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12-4-5-13-7-16-18(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-1-yl)azetidin-1-yl]ethanone?
1-[3-(6-propan-2-ylindazol-1-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-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 153308049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).