5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide

C27H35N7O — CID 71156775

IUPAC5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC(C)(c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC3(CCCC3)CC2)n1)N1CCNCC1
InChIInChI=1S/C27H35N7O/c1-26(2,34-15-13-29-14-16-34)22-6-5-21(32-25(35)24-30-18-20(17-28)31-24)23(33-22)19-7-11-27(12-8-19)9-3-4-10-27/h5-7,18,29H,3-4,8-16H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyLLBDASFVKXQULW-UHFFFAOYSA-N
MW473.63 g/mol
LogP4.20
Rot. Bonds5

About 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide

5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 71156775) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID71156775
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC(C)(c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC3(CCCC3)CC2)n1)N1CCNCC1
InChIInChI=1S/C27H35N7O/c1-26(2,34-15-13-29-14-16-34)22-6-5-21(32-25(35)24-30-18-20(17-28)31-24)23(33-22)19-7-11-27(12-8-19)9-3-4-10-27/h5-7,18,29H,3-4,8-16H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyLLBDASFVKXQULW-UHFFFAOYSA-N
XLogP4.20
TPSA109.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 71156775) is 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide is CC(C)(c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC3(CCCC3)CC2)n1)N1CCNCC1.
What is the InChIKey of 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is LLBDASFVKXQULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-26(2,34-15-13-29-14-16-34)22-6-5-21(32-25(35)24-30-18-20(17-28)31-24)23(33-22)19-7-11-27(12-8-19)9-3-4-10-27/h5-7,18,29H,3-4,8-16H2,1-2H3,(H,30,31)(H,32,35).
What are the key properties of 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[6-(2-piperazin-1-ylpropan-2-yl)-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71156775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).