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

C21H24N4O2 — CID 71521769

IUPAC3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol
SMILESCC(C)n1nc(Cn2nc3ccccc3c2OCCCO)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-15(2)25-20-11-6-4-8-16(20)19(23-25)14-24-21(27-13-7-12-26)17-9-3-5-10-18(17)22-24/h3-6,8-11,15,26H,7,12-14H2,1-2H3
InChIKeyPACFQQMBQWCURU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds7

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

3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol (PubChem CID 71521769) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol
PubChem CID71521769
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol
SMILESCC(C)n1nc(Cn2nc3ccccc3c2OCCCO)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-15(2)25-20-11-6-4-8-16(20)19(23-25)14-24-21(27-13-7-12-26)17-9-3-5-10-18(17)22-24/h3-6,8-11,15,26H,7,12-14H2,1-2H3
InChIKeyPACFQQMBQWCURU-UHFFFAOYSA-N
XLogP3.78
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]oxypropan-1-ol?
The IUPAC name of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol (CID 71521769) is 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol?
The canonical SMILES for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol is CC(C)n1nc(Cn2nc3ccccc3c2OCCCO)c2ccccc21.
What is the InChIKey of 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol?
The InChIKey is PACFQQMBQWCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)25-20-11-6-4-8-16(20)19(23-25)14-24-21(27-13-7-12-26)17-9-3-5-10-18(17)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]oxypropan-1-ol?
3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol has a molecular weight of 364.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-propan-2-ylindazol-3-yl)methyl]indazol-3-yl]oxypropan-1-ol is sourced from PubChem (CID 71521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).