1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid

C21H24N4O4 — CID 155167536

IUPAC1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnn2C2CCCCO2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C21H24N4O4/c26-21(27)15-11-14(17-7-8-22-24(17)19-5-1-3-9-28-19)12-18-16(15)13-23-25(18)20-6-2-4-10-29-20/h7-8,11-13,19-20H,1-6,9-10H2,(H,26,27)
InChIKeyBNOGAZCKSFQQSV-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.00
Rot. Bonds4

About 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid

1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid (PubChem CID 155167536) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
PubChem CID155167536
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnn2C2CCCCO2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C21H24N4O4/c26-21(27)15-11-14(17-7-8-22-24(17)19-5-1-3-9-28-19)12-18-16(15)13-23-25(18)20-6-2-4-10-29-20/h7-8,11-13,19-20H,1-6,9-10H2,(H,26,27)
InChIKeyBNOGAZCKSFQQSV-UHFFFAOYSA-N
XLogP4.00
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid?
The IUPAC name of 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid (CID 155167536) is 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid?
The canonical SMILES for 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid is O=C(O)c1cc(-c2ccnn2C2CCCCO2)cc2c1cnn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid?
The InChIKey is BNOGAZCKSFQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-21(27)15-11-14(17-7-8-22-24(17)19-5-1-3-9-28-19)12-18-16(15)13-23-25(18)20-6-2-4-10-29-20/h7-8,11-13,19-20H,1-6,9-10H2,(H,26,27).
What are the key properties of 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid?
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid has a molecular weight of 396.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid is sourced from PubChem (CID 155167536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).