3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol

C21H24N4O — CID 71521771

IUPAC3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol
SMILESCC(C)n1nc(Cn2nc3ccccc3c2CCCO)c2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)25-21-11-6-4-9-17(21)19(23-25)14-24-20(12-7-13-26)16-8-3-5-10-18(16)22-24/h3-6,8-11,15,26H,7,12-14H2,1-2H3
InChIKeyHSEFDFJHIUBTIR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds6

About 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol

3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol (PubChem CID 71521771) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol
PubChem CID71521771
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol
SMILESCC(C)n1nc(Cn2nc3ccccc3c2CCCO)c2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)25-21-11-6-4-9-17(21)19(23-25)14-24-20(12-7-13-26)16-8-3-5-10-18(16)22-24/h3-6,8-11,15,26H,7,12-14H2,1-2H3
InChIKeyHSEFDFJHIUBTIR-UHFFFAOYSA-N
XLogP3.94
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol (CID 71521771) is 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol is CC(C)n1nc(Cn2nc3ccccc3c2CCCO)c2ccccc21.
What is the InChIKey of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol?
The InChIKey is HSEFDFJHIUBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)25-21-11-6-4-9-17(21)19(23-25)14-24-20(12-7-13-26)16-8-3-5-10-18(16)22-24/h3-6,8-11,15,26H,7,12-14H2,1-2H3.
What are the key properties of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol?
3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]propan-1-ol is sourced from PubChem (CID 71521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).