4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol

C22H22N4OS — CID 162661091

IUPAC4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-c2nccs2)cc1)N1CCCCC1
InChIInChI=1S/C22H22N4OS/c27-19-9-8-18-17(14-24-25-18)20(19)21(26-11-2-1-3-12-26)15-4-6-16(7-5-15)22-23-10-13-28-22/h4-10,13-14,21,27H,1-3,11-12H2,(H,24,25)
InChIKeyZJCVCFAZWNTVNE-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.97
Rot. Bonds4

About 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol

4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol (PubChem CID 162661091) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol
PubChem CID162661091
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-c2nccs2)cc1)N1CCCCC1
InChIInChI=1S/C22H22N4OS/c27-19-9-8-18-17(14-24-25-18)20(19)21(26-11-2-1-3-12-26)15-4-6-16(7-5-15)22-23-10-13-28-22/h4-10,13-14,21,27H,1-3,11-12H2,(H,24,25)
InChIKeyZJCVCFAZWNTVNE-UHFFFAOYSA-N
XLogP4.97
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol?
The IUPAC name of 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol (CID 162661091) is 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1C(c1ccc(-c2nccs2)cc1)N1CCCCC1.
What is the InChIKey of 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol?
The InChIKey is ZJCVCFAZWNTVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-19-9-8-18-17(14-24-25-18)20(19)21(26-11-2-1-3-12-26)15-4-6-16(7-5-15)22-23-10-13-28-22/h4-10,13-14,21,27H,1-3,11-12H2,(H,24,25).
What are the key properties of 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol?
4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol has a molecular weight of 390.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-1-yl-[4-(1,3-thiazol-2-yl)phenyl]methyl]-1H-indazol-5-ol is sourced from PubChem (CID 162661091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).