[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone

C23H24N4O4 — CID 139377111

IUPAC[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3cn(O)nc3c2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C23H24N4O4/c28-21(25-10-12-26(13-11-25)22(29)23(30)8-1-9-23)17-4-2-16(3-5-17)18-6-7-19-15-27(31)24-20(19)14-18/h2-7,14-15,30-31H,1,8-13H2
InChIKeyOKYAWFVQPRRNEG-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.14
Rot. Bonds3

About [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone

[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone (PubChem CID 139377111) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
PubChem CID139377111
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3cn(O)nc3c2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C23H24N4O4/c28-21(25-10-12-26(13-11-25)22(29)23(30)8-1-9-23)17-4-2-16(3-5-17)18-6-7-19-15-27(31)24-20(19)14-18/h2-7,14-15,30-31H,1,8-13H2
InChIKeyOKYAWFVQPRRNEG-UHFFFAOYSA-N
XLogP2.14
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone (CID 139377111) is [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone is O=C(c1ccc(-c2ccc3cn(O)nc3c2)cc1)N1CCN(C(=O)C2(O)CCC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone?
The InChIKey is OKYAWFVQPRRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21(25-10-12-26(13-11-25)22(29)23(30)8-1-9-23)17-4-2-16(3-5-17)18-6-7-19-15-27(31)24-20(19)14-18/h2-7,14-15,30-31H,1,8-13H2.
What are the key properties of [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone?
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone has a molecular weight of 420.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone is sourced from PubChem (CID 139377111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).