1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H14BrN3O — CID 121326046

IUPAC1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H14BrN3O/c1-9(19)18-4-2-10(3-5-18)12-6-11(15)7-14-13(12)8-16-17-14/h2,6-8H,3-5H2,1H3,(H,16,17)
InChIKeyPEECEHGOYOOZHC-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.96
Rot. Bonds1

About 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 121326046) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID121326046
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H14BrN3O/c1-9(19)18-4-2-10(3-5-18)12-6-11(15)7-14-13(12)8-16-17-14/h2,6-8H,3-5H2,1H3,(H,16,17)
InChIKeyPEECEHGOYOOZHC-UHFFFAOYSA-N
XLogP2.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione
CID 162482077
1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139473206
1-[4-(2-tert-butyl-5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158681077
1-[4-(3-amino-7-chloroisoquinolin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135343209
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
1-[4-(1-hydroxynaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 18751551
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
2-(6-bromo-1H-indazol-4-yl)acetic acid
CID 174657901
tert-butyl 4-(2-amino-5-bromo-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155425853
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123656548

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 121326046) is 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cc(Br)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is PEECEHGOYOOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(19)18-4-2-10(3-5-18)12-6-11(15)7-14-13(12)8-16-17-14/h2,6-8H,3-5H2,1H3,(H,16,17).
What are the key properties of 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 320.19 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 121326046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).