5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide

C32H42N6O — CID 24826616

IUPAC5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
SMILESCCN1CCN(C2(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC5(CCCC5)CC4)c3)CCCC2)CC1
InChIInChI=1S/C32H42N6O/c1-2-37-17-19-38(20-18-37)32(13-5-6-14-32)25-7-8-28(36-30(39)29-34-23-26(22-33)35-29)27(21-25)24-9-15-31(16-10-24)11-3-4-12-31/h7-9,21,23H,2-6,10-20H2,1H3,(H,34,35)(H,36,39)
InChIKeyKJGAFSWKHZDXFH-UHFFFAOYSA-N
MW526.73 g/mol
LogP6.07
Rot. Bonds6

About 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 24826616) has the molecular formula C32H42N6O and a molecular weight of 526.73 g/mol. Its IUPAC name is 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
PubChem CID24826616
Molecular FormulaC32H42N6O
Molecular Weight526.73 g/mol
Exact Mass526.34
IUPAC Name5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
SMILESCCN1CCN(C2(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC5(CCCC5)CC4)c3)CCCC2)CC1
InChIInChI=1S/C32H42N6O/c1-2-37-17-19-38(20-18-37)32(13-5-6-14-32)25-7-8-28(36-30(39)29-34-23-26(22-33)35-29)27(21-25)24-9-15-31(16-10-24)11-3-4-12-31/h7-9,21,23H,2-6,10-20H2,1H3,(H,34,35)(H,36,39)
InChIKeyKJGAFSWKHZDXFH-UHFFFAOYSA-N
XLogP6.07
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide (CID 24826616) is 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide is CCN1CCN(C2(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC5(CCCC5)CC4)c3)CCCC2)CC1.
What is the InChIKey of 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is KJGAFSWKHZDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O/c1-2-37-17-19-38(20-18-37)32(13-5-6-14-32)25-7-8-28(36-30(39)29-34-23-26(22-33)35-29)27(21-25)24-9-15-31(16-10-24)11-3-4-12-31/h7-9,21,23H,2-6,10-20H2,1H3,(H,34,35)(H,36,39).
What are the key properties of 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 526.73 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24826616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).