8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one

C12H11BrN2O2 — CID 156790042

IUPAC8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
SMILESCOc1cc(Br)cn2nc3c(c12)C(=O)CCC3
InChIInChI=1S/C12H11BrN2O2/c1-17-10-5-7(13)6-15-12(10)11-8(14-15)3-2-4-9(11)16/h5-6H,2-4H2,1H3
InChIKeyOKISKPHUGBLFBG-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.62
Rot. Bonds1

About 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one

8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one (PubChem CID 156790042) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one.

Molecular Properties

Compound Name8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
PubChem CID156790042
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
SMILESCOc1cc(Br)cn2nc3c(c12)C(=O)CCC3
InChIInChI=1S/C12H11BrN2O2/c1-17-10-5-7(13)6-15-12(10)11-8(14-15)3-2-4-9(11)16/h5-6H,2-4H2,1H3
InChIKeyOKISKPHUGBLFBG-UHFFFAOYSA-N
XLogP2.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-chloro-6-methoxyphenyl)-3-methoxycyclohex-2-en-1-one
CID 90239222
9-(5-bromo-2-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2982390
3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 3541773
5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one
CID 170110142
2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
19-methoxy-8,13,15-triazahexacyclo[10.9.2.02,7.09,22.015,23.016,21]tricosa-1,7,9(22),10,12(23),13,16(21),17,19-nonaen-3-one
CID 122212023
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
4-(2,5-dimethoxyphenyl)-3-methyl-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135573103
4-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 6463228
7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
CID 101078724
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523

Frequently Asked Questions

What is the IUPAC name of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The IUPAC name of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one (CID 156790042) is 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one.
What is the SMILES notation for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The canonical SMILES for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one is COc1cc(Br)cn2nc3c(c12)C(=O)CCC3.
What is the InChIKey of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The InChIKey is OKISKPHUGBLFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-10-5-7(13)6-15-12(10)11-8(14-15)3-2-4-9(11)16/h5-6H,2-4H2,1H3.
What are the key properties of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one has a molecular weight of 295.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one is sourced from PubChem (CID 156790042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).