[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol

C16H23N3O3 — CID 139698819

IUPAC[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol
SMILESCOc1cc2c(CO)nn(CC3CCCN3C)c2cc1OC
InChIInChI=1S/C16H23N3O3/c1-18-6-4-5-11(18)9-19-14-8-16(22-3)15(21-2)7-12(14)13(10-20)17-19/h7-8,11,20H,4-6,9-10H2,1-3H3
InChIKeyVQVBWMXSCUWREN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.64
Rot. Bonds5

About [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol

[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol (PubChem CID 139698819) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol.

Molecular Properties

Compound Name[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol
PubChem CID139698819
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol
SMILESCOc1cc2c(CO)nn(CC3CCCN3C)c2cc1OC
InChIInChI=1S/C16H23N3O3/c1-18-6-4-5-11(18)9-19-14-8-16(22-3)15(21-2)7-12(14)13(10-20)17-19/h7-8,11,20H,4-6,9-10H2,1-3H3
InChIKeyVQVBWMXSCUWREN-UHFFFAOYSA-N
XLogP1.64
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol?
The IUPAC name of [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol (CID 139698819) is [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol.
What is the SMILES notation for [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol?
The canonical SMILES for [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol is COc1cc2c(CO)nn(CC3CCCN3C)c2cc1OC.
What is the InChIKey of [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol?
The InChIKey is VQVBWMXSCUWREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-6-4-5-11(18)9-19-14-8-16(22-3)15(21-2)7-12(14)13(10-20)17-19/h7-8,11,20H,4-6,9-10H2,1-3H3.
What are the key properties of [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol?
[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol is sourced from PubChem (CID 139698819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).