[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol

C21H22N2O3 — CID 146885575

IUPAC[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCOc1ccc2c(-c3ccc(CO)o3)nn(CC3=CC=CC(C)C3)c2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-3-5-15(10-14)12-23-19-11-16(25-2)6-8-18(19)21(22-23)20-9-7-17(13-24)26-20/h3-9,11,14,24H,10,12-13H2,1-2H3
InChIKeySVSSITIRSDDOMU-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.32
Rot. Bonds5

About [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol

[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol (PubChem CID 146885575) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol
PubChem CID146885575
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCOc1ccc2c(-c3ccc(CO)o3)nn(CC3=CC=CC(C)C3)c2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-3-5-15(10-14)12-23-19-11-16(25-2)6-8-18(19)21(22-23)20-9-7-17(13-24)26-20/h3-9,11,14,24H,10,12-13H2,1-2H3
InChIKeySVSSITIRSDDOMU-UHFFFAOYSA-N
XLogP4.32
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol 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

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
[5-[1-[(2-Fluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 9949053
1-Benzyl-3-(5-methoxycarbonyl-2-furyl)indazole
CID 9967388
2-Furanmethanol, 5-[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]-
CID 11472726
[5-(1-Benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
CID 11483649
[5-[1-(Pyridin-3-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840332
[5-[1-(Pyridin-2-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840335
5-[1-[(3-Fluorophenyl)methyl]-1H-indazol-3-yl]-2-furanmethanol
CID 21263021
[5-[1-[(2,6-Difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 21334501
1-Benzyl-3-(5-hydroxymethyl-2-furyl)selenolo[3,2-c]pyrazole
CID 46193251
1-Benzyl-3-(5-hydroxymethyl-2-furyl)-5-methylselenolo[3,2-c]pyrazole
CID 46193613
[5-(1-Benzylindazol-3-yl)furan-2-yl]methyl 2-methylpropanoate
CID 56927665

Frequently Asked Questions

What is the IUPAC name of [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol (CID 146885575) is [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol is COc1ccc2c(-c3ccc(CO)o3)nn(CC3=CC=CC(C)C3)c2c1.
What is the InChIKey of [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol?
The InChIKey is SVSSITIRSDDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-4-3-5-15(10-14)12-23-19-11-16(25-2)6-8-18(19)21(22-23)20-9-7-17(13-24)26-20/h3-9,11,14,24H,10,12-13H2,1-2H3.
What are the key properties of [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol?
[5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol has a molecular weight of 350.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-methoxy-1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 146885575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).