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

C21H22N2O3 — CID 146885575

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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