(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone

C14H15BrN2O2 — CID 68850204

IUPAC(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)C3(Br)CCCC3)n[nH]c2c1
InChIInChI=1S/C14H15BrN2O2/c1-19-9-4-5-10-11(8-9)16-17-12(10)13(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyODZSJPRIUOQDPA-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.46
Rot. Bonds3

About (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone

(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone (PubChem CID 68850204) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone
PubChem CID68850204
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)C3(Br)CCCC3)n[nH]c2c1
InChIInChI=1S/C14H15BrN2O2/c1-19-9-4-5-10-11(8-9)16-17-12(10)13(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyODZSJPRIUOQDPA-UHFFFAOYSA-N
XLogP3.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone 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

6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
N-(2-hydroxypropyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469569
6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67273565
(6-methoxy-1H-indazol-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 58823818
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
CID 67229737
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid
CID 11508770
2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 146135984
N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-5-methoxy-1H-indazole-3-carboxamide
CID 166380438
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
CID 11509046
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696

Frequently Asked Questions

What is the IUPAC name of (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone?
The IUPAC name of (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone (CID 68850204) is (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone.
What is the SMILES notation for (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone?
The canonical SMILES for (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone is COc1ccc2c(C(=O)C3(Br)CCCC3)n[nH]c2c1.
What is the InChIKey of (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone?
The InChIKey is ODZSJPRIUOQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-19-9-4-5-10-11(8-9)16-17-12(10)13(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone?
(1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone has a molecular weight of 323.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocyclopentyl)-(6-methoxy-1H-indazol-3-yl)methanone is sourced from PubChem (CID 68850204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).