4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol

C23H24N4O — CID 162662166

IUPAC4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C23H24N4O/c28-21-11-10-20-19(16-24-25-20)22(21)23(27-14-2-1-3-15-27)17-6-8-18(9-7-17)26-12-4-5-13-26/h4-13,16,23,28H,1-3,14-15H2,(H,24,25)
InChIKeyPAHBHSSGDXHQNY-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.63
Rot. Bonds4

About 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol

4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol (PubChem CID 162662166) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
PubChem CID162662166
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C23H24N4O/c28-21-11-10-20-19(16-24-25-20)22(21)23(27-14-2-1-3-15-27)17-6-8-18(9-7-17)26-12-4-5-13-26/h4-13,16,23,28H,1-3,14-15H2,(H,24,25)
InChIKeyPAHBHSSGDXHQNY-UHFFFAOYSA-N
XLogP4.63
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol?
The IUPAC name of 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol (CID 162662166) is 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1C(c1ccc(-n2cccc2)cc1)N1CCCCC1.
What is the InChIKey of 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol?
The InChIKey is PAHBHSSGDXHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-21-11-10-20-19(16-24-25-20)22(21)23(27-14-2-1-3-15-27)17-6-8-18(9-7-17)26-12-4-5-13-26/h4-13,16,23,28H,1-3,14-15H2,(H,24,25).
What are the key properties of 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol?
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol has a molecular weight of 372.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol is sourced from PubChem (CID 162662166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).