N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide

C22H27N5O — CID 55861113

IUPACN-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H27N5O/c28-22(21-19-10-4-5-11-20(19)24-25-21)23-12-6-7-13-26-14-16-27(17-15-26)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,23,28)(H,24,25)
InChIKeySWVPHOUVSKYIGL-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.90
Rot. Bonds7

About N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide

N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide (PubChem CID 55861113) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide
PubChem CID55861113
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H27N5O/c28-22(21-19-10-4-5-11-20(19)24-25-21)23-12-6-7-13-26-14-16-27(17-15-26)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,23,28)(H,24,25)
InChIKeySWVPHOUVSKYIGL-UHFFFAOYSA-N
XLogP2.90
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide (CID 55861113) is N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide?
The InChIKey is SWVPHOUVSKYIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22(21-19-10-4-5-11-20(19)24-25-21)23-12-6-7-13-26-14-16-27(17-15-26)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,23,28)(H,24,25).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide?
N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 55861113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).