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

C17H18BrN5O3 — CID 121160323

IUPAC3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C17H18BrN5O3/c1-21-15(12-3-2-10(18)8-13(12)20-21)16(25)22-6-4-11(5-7-22)23-14(24)9-19-17(23)26/h2-3,8,11H,4-7,9H2,1H3,(H,19,26)
InChIKeyDKZVQIIUDNJTQU-UHFFFAOYSA-N
MW420.27 g/mol
LogP1.49
Rot. Bonds2

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

3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160323) has the molecular formula C17H18BrN5O3 and a molecular weight of 420.27 g/mol. Its IUPAC name is 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160323
Molecular FormulaC17H18BrN5O3
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C17H18BrN5O3/c1-21-15(12-3-2-10(18)8-13(12)20-21)16(25)22-6-4-11(5-7-22)23-14(24)9-19-17(23)26/h2-3,8,11H,4-7,9H2,1H3,(H,19,26)
InChIKeyDKZVQIIUDNJTQU-UHFFFAOYSA-N
XLogP1.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156594
2-[1-(6-bromo-2-methylindazole-3-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265375
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
(6-bromo-2-methylindazol-3-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178135
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255
(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593027
3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017244

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160323) is 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is DKZVQIIUDNJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O3/c1-21-15(12-3-2-10(18)8-13(12)20-21)16(25)22-6-4-11(5-7-22)23-14(24)9-19-17(23)26/h2-3,8,11H,4-7,9H2,1H3,(H,19,26).
What are the key properties of 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 420.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).