N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide

C24H30ClN5O — CID 122175823

IUPACN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)C(C)n2ncc3ccccc32)CC1
InChIInChI=1S/C24H30ClN5O/c1-18-8-9-21(25)16-23(18)29-14-12-28(13-15-29)11-5-10-26-24(31)19(2)30-22-7-4-3-6-20(22)17-27-30/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3,(H,26,31)
InChIKeyFTXUZNZXBRDXJP-UHFFFAOYSA-N
MW439.99 g/mol
LogP3.89
Rot. Bonds7

About N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide

N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide (PubChem CID 122175823) has the molecular formula C24H30ClN5O and a molecular weight of 439.99 g/mol. Its IUPAC name is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide
PubChem CID122175823
Molecular FormulaC24H30ClN5O
Molecular Weight439.99 g/mol
Exact Mass439.21
IUPAC NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)C(C)n2ncc3ccccc32)CC1
InChIInChI=1S/C24H30ClN5O/c1-18-8-9-21(25)16-23(18)29-14-12-28(13-15-29)11-5-10-26-24(31)19(2)30-22-7-4-3-6-20(22)17-27-30/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3,(H,26,31)
InChIKeyFTXUZNZXBRDXJP-UHFFFAOYSA-N
XLogP3.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide?
The IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide (CID 122175823) is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide?
The canonical SMILES for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide is Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C(C)n2ncc3ccccc32)CC1.
What is the InChIKey of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide?
The InChIKey is FTXUZNZXBRDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O/c1-18-8-9-21(25)16-23(18)29-14-12-28(13-15-29)11-5-10-26-24(31)19(2)30-22-7-4-3-6-20(22)17-27-30/h3-4,6-9,16-17,19H,5,10-15H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide?
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide has a molecular weight of 439.99 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-indazol-1-ylpropanamide is sourced from PubChem (CID 122175823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).