N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H28N6O2 — CID 146408517

IUPACN-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C#N)C(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C23H28N6O2/c1-22(2,12-24)20(31)28-13-23(14-28)10-8-15(9-11-23)17-4-3-5-18-25-21(27-29(17)18)26-19(30)16-6-7-16/h3-5,15-16H,6-11,13-14H2,1-2H3,(H,26,27,30)
InChIKeyKPBHPWFZPIPDGP-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.11
Rot. Bonds4

About N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408517) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408517
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C#N)C(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C23H28N6O2/c1-22(2,12-24)20(31)28-13-23(14-28)10-8-15(9-11-23)17-4-3-5-18-25-21(27-29(17)18)26-19(30)16-6-7-16/h3-5,15-16H,6-11,13-14H2,1-2H3,(H,26,27,30)
InChIKeyKPBHPWFZPIPDGP-UHFFFAOYSA-N
XLogP3.11
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408517) is N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(C)(C#N)C(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1.
What is the InChIKey of N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KPBHPWFZPIPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-22(2,12-24)20(31)28-13-23(14-28)10-8-15(9-11-23)17-4-3-5-18-25-21(27-29(17)18)26-19(30)16-6-7-16/h3-5,15-16H,6-11,13-14H2,1-2H3,(H,26,27,30).
What are the key properties of N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).