(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one

C19H24BrN3O2 — CID 163396298

IUPAC(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one
SMILESCOc1cc2nn([C@@H]3CC[C@@]4(CCC(=O)N4C)C[C@H]3C)cc2cc1Br
InChIInChI=1S/C19H24BrN3O2/c1-12-10-19(7-5-18(24)22(19)2)6-4-16(12)23-11-13-8-14(20)17(25-3)9-15(13)21-23/h8-9,11-12,16H,4-7,10H2,1-3H3/t12-,16-,19-/m1/s1
InChIKeyXKAIOEFDMPCAAS-SMNXXWJPSA-N
MW406.32 g/mol
LogP4.16
Rot. Bonds2

About (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one

(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one (PubChem CID 163396298) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one
PubChem CID163396298
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one
SMILESCOc1cc2nn([C@@H]3CC[C@@]4(CCC(=O)N4C)C[C@H]3C)cc2cc1Br
InChIInChI=1S/C19H24BrN3O2/c1-12-10-19(7-5-18(24)22(19)2)6-4-16(12)23-11-13-8-14(20)17(25-3)9-15(13)21-23/h8-9,11-12,16H,4-7,10H2,1-3H3/t12-,16-,19-/m1/s1
InChIKeyXKAIOEFDMPCAAS-SMNXXWJPSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol
CID 167108653
5-bromo-6-methoxy-2-[(7S,8S)-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]indazole
CID 163396515
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
(1S,2R,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-methylcyclohexan-1-ol
CID 163396628
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
5-bromo-2-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-6-methoxyindazole
CID 170334877
6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxylic acid
CID 163396282
lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide
CID 172739286
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481
2-[(5R,7R,8R)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide;2-[(5R,7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 165101592
2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396381
tert-butyl (3S,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-tert-butyl-3-fluoropiperidine-1-carboxylate
CID 170557176

Frequently Asked Questions

What is the IUPAC name of (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one?
The IUPAC name of (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one (CID 163396298) is (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one is COc1cc2nn([C@@H]3CC[C@@]4(CCC(=O)N4C)C[C@H]3C)cc2cc1Br.
What is the InChIKey of (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one?
The InChIKey is XKAIOEFDMPCAAS-SMNXXWJPSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-12-10-19(7-5-18(24)22(19)2)6-4-16(12)23-11-13-8-14(20)17(25-3)9-15(13)21-23/h8-9,11-12,16H,4-7,10H2,1-3H3/t12-,16-,19-/m1/s1.
What are the key properties of (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one?
(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one has a molecular weight of 406.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 163396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).