3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C17H17BrN4O4 — CID 121156594

IUPAC3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C17H17BrN4O4/c1-20-15(12-3-2-10(18)8-13(12)19-20)16(24)21-6-4-11(5-7-21)22-14(23)9-26-17(22)25/h2-3,8,11H,4-7,9H2,1H3
InChIKeyODYKJONIKDUCAW-UHFFFAOYSA-N
MW421.25 g/mol
LogP1.92
Rot. Bonds2

About 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156594) has the molecular formula C17H17BrN4O4 and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156594
Molecular FormulaC17H17BrN4O4
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C17H17BrN4O4/c1-20-15(12-3-2-10(18)8-13(12)19-20)16(24)21-6-4-11(5-7-21)22-14(23)9-26-17(22)25/h2-3,8,11H,4-7,9H2,1H3
InChIKeyODYKJONIKDUCAW-UHFFFAOYSA-N
XLogP1.92
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160323
3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156715
2-[1-(6-bromo-2-methylindazole-3-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265375
(6-bromo-2-methylindazol-3-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178135
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 121156681
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593027
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156473
3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156516
3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156594) is 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is ODYKJONIKDUCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O4/c1-20-15(12-3-2-10(18)8-13(12)19-20)16(24)21-6-4-11(5-7-21)22-14(23)9-26-17(22)25/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 421.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).