6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C24H25Cl2N5O — CID 10479822

IUPAC6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1
InChIInChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-7-6-17(16-27)14-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)
InChIKeyAUBVMUJWPOHAEW-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.68
Rot. Bonds7

About 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 10479822) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID10479822
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1
InChIInChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-7-6-17(16-27)14-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)
InChIKeyAUBVMUJWPOHAEW-UHFFFAOYSA-N
XLogP4.68
TPSA75.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Pomotrelvir
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1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
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Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo-
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5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
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5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857
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N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
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US8748608, 34 Enantiomer A
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N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide
CID 42625295
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 10479822) is 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1.
What is the InChIKey of 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is AUBVMUJWPOHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-7-6-17(16-27)14-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32).
What are the key properties of 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10479822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).