N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide

C26H34ClN5O2 — CID 10254735

IUPACN-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide
SMILESCCCCN(CCCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C26H34ClN5O2/c1-3-5-15-32(16-6-4-2)17-9-14-28-25(33)21-18-19(27)12-13-22(21)29-26(34)24-20-10-7-8-11-23(20)30-31-24/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyXFMXUMOIPYHMFP-UHFFFAOYSA-N
MW484.04 g/mol
LogP5.49
Rot. Bonds13

About N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide

N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide (PubChem CID 10254735) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide
PubChem CID10254735
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC NameN-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide
SMILESCCCCN(CCCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C26H34ClN5O2/c1-3-5-15-32(16-6-4-2)17-9-14-28-25(33)21-18-19(27)12-13-22(21)29-26(34)24-20-10-7-8-11-23(20)30-31-24/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyXFMXUMOIPYHMFP-UHFFFAOYSA-N
XLogP5.49
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-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

Related Compounds

N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide
CID 91136765
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide (CID 10254735) is N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide is CCCCN(CCCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide?
The InChIKey is XFMXUMOIPYHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O2/c1-3-5-15-32(16-6-4-2)17-9-14-28-25(33)21-18-19(27)12-13-22(21)29-26(34)24-20-10-7-8-11-23(20)30-31-24/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,28,33)(H,29,34)(H,30,31).
What are the key properties of N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide?
N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide has a molecular weight of 484.04 g/mol, XLogP of 5.49, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 10254735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).