2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole

C20H22N2O4 — CID 175435826

IUPAC2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole
SMILESCOc1cc(-c2ccc(OC)c3nn(C4CC4)cc23)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-23-16-8-7-14(15-11-22(13-5-6-13)21-19(15)16)12-9-17(24-2)20(26-4)18(10-12)25-3/h7-11,13H,5-6H2,1-4H3
InChIKeyQCHLYKSABKKLOG-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole

2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole (PubChem CID 175435826) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole.

Molecular Properties

Compound Name2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole
PubChem CID175435826
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole
SMILESCOc1cc(-c2ccc(OC)c3nn(C4CC4)cc23)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-23-16-8-7-14(15-11-22(13-5-6-13)21-19(15)16)12-9-17(24-2)20(26-4)18(10-12)25-3/h7-11,13H,5-6H2,1-4H3
InChIKeyQCHLYKSABKKLOG-UHFFFAOYSA-N
XLogP4.07
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435674
4-(4-Methoxyphenyl)-1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435684
4-(3-Fluoro-4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 145985149
2-Cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
CID 172638504
2-Cyclopropyl-7-methoxy-4-pyridin-4-ylindazole
CID 175435815
3-(2-Cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435819
3-Benzyl-5-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435821
1-[3-(2-Cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
CID 175435827
2-Cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole
CID 175435832
7-methoxy-1-methyl-5-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]indazole
CID 44411996
7-methoxy-1-methyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]indazole
CID 44411998
[3-(2-Cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine
CID 177379890

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole?
The IUPAC name of 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole (CID 175435826) is 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole.
What is the SMILES notation for 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole?
The canonical SMILES for 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole is COc1cc(-c2ccc(OC)c3nn(C4CC4)cc23)cc(OC)c1OC.
What is the InChIKey of 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole?
The InChIKey is QCHLYKSABKKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-23-16-8-7-14(15-11-22(13-5-6-13)21-19(15)16)12-9-17(24-2)20(26-4)18(10-12)25-3/h7-11,13H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole?
2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole has a molecular weight of 354.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole is sourced from PubChem (CID 175435826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).