5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C28H39N7O — CID 71164544

IUPAC5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC4(CCCC4)CC3)n2)CC1
InChIInChI=1S/C28H39N7O/c1-27(2,35-16-14-34(3)15-17-35)23-7-6-22(32-26(36)25-30-19-21(18-29)31-25)24(33-23)20-8-12-28(13-9-20)10-4-5-11-28/h6-8,21H,4-5,9-17,19H2,1-3H3,(H,30,31)(H,32,36)
InChIKeyGSBJIBIYGPIXNL-UHFFFAOYSA-N
MW489.67 g/mol
LogP3.52
Rot. Bonds5

About 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71164544) has the molecular formula C28H39N7O and a molecular weight of 489.67 g/mol. Its IUPAC name is 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71164544
Molecular FormulaC28H39N7O
Molecular Weight489.67 g/mol
Exact Mass489.32
IUPAC Name5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC4(CCCC4)CC3)n2)CC1
InChIInChI=1S/C28H39N7O/c1-27(2,35-16-14-34(3)15-17-35)23-7-6-22(32-26(36)25-30-19-21(18-29)31-25)24(33-23)20-8-12-28(13-9-20)10-4-5-11-28/h6-8,21H,4-5,9-17,19H2,1-3H3,(H,30,31)(H,32,36)
InChIKeyGSBJIBIYGPIXNL-UHFFFAOYSA-N
XLogP3.52
TPSA96.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.67
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-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 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71164544) is 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC4(CCCC4)CC3)n2)CC1.
What is the InChIKey of 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is GSBJIBIYGPIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O/c1-27(2,35-16-14-34(3)15-17-35)23-7-6-22(32-26(36)25-30-19-21(18-29)31-25)24(33-23)20-8-12-28(13-9-20)10-4-5-11-28/h6-8,21H,4-5,9-17,19H2,1-3H3,(H,30,31)(H,32,36).
What are the key properties of 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 489.67 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71164544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).