(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone

C22H18N2O2 — CID 10472547

IUPAC(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H18N2O2/c1-26-18-12-13-19-20(14-18)24(15-16-8-4-2-5-9-16)23-21(19)22(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyOKVKZMQIJLMIMQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds5

About (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone

(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone (PubChem CID 10472547) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
PubChem CID10472547
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(C(=O)c3ccccc3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H18N2O2/c1-26-18-12-13-19-20(14-18)24(15-16-8-4-2-5-9-16)23-21(19)22(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyOKVKZMQIJLMIMQ-UHFFFAOYSA-N
XLogP4.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
1-(3-benzoyl-6-methoxyindazol-1-yl)-3,3-dimethylbutan-2-one
CID 10427954
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
CID 141023866
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10317635
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
1-[3-[4-(2-hydroxyethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10092024
1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carboxylic acid
CID 11737836
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone (CID 10472547) is (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone is COc1ccc2c(C(=O)c3ccccc3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone?
The InChIKey is OKVKZMQIJLMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-12-13-19-20(14-18)24(15-16-8-4-2-5-9-16)23-21(19)22(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone?
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone has a molecular weight of 342.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone is sourced from PubChem (CID 10472547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).