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

C23H23N5O — CID 162645282

IUPAC4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-c2cncnc2)cc1)N1CCCCC1
InChIInChI=1S/C23H23N5O/c29-21-9-8-20-19(14-26-27-20)22(21)23(28-10-2-1-3-11-28)17-6-4-16(5-7-17)18-12-24-15-25-13-18/h4-9,12-15,23,29H,1-3,10-11H2,(H,26,27)
InChIKeyKKZUUULBIAGULI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.30
Rot. Bonds4

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

4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol (PubChem CID 162645282) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol
PubChem CID162645282
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(-c2cncnc2)cc1)N1CCCCC1
InChIInChI=1S/C23H23N5O/c29-21-9-8-20-19(14-26-27-20)22(21)23(28-10-2-1-3-11-28)17-6-4-16(5-7-17)18-12-24-15-25-13-18/h4-9,12-15,23,29H,1-3,10-11H2,(H,26,27)
InChIKeyKKZUUULBIAGULI-UHFFFAOYSA-N
XLogP4.30
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.30
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-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol?
The IUPAC name of 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol (CID 162645282) is 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1C(c1ccc(-c2cncnc2)cc1)N1CCCCC1.
What is the InChIKey of 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol?
The InChIKey is KKZUUULBIAGULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-21-9-8-20-19(14-26-27-20)22(21)23(28-10-2-1-3-11-28)17-6-4-16(5-7-17)18-12-24-15-25-13-18/h4-9,12-15,23,29H,1-3,10-11H2,(H,26,27).
What are the key properties of 4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol?
4-[piperidin-1-yl-(4-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol has a molecular weight of 385.47 g/mol, XLogP of 4.30, 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-pyrimidin-5-ylphenyl)methyl]-1H-indazol-5-ol is sourced from PubChem (CID 162645282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).