N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H28N6O2 — CID 146408522

IUPACN-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CCC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)CC1
InChIInChI=1S/C23H28N6O2/c24-13-8-20(30)28-14-11-23(12-15-28)9-6-16(7-10-23)18-2-1-3-19-25-22(27-29(18)19)26-21(31)17-4-5-17/h1-3,16-17H,4-12,14-15H2,(H,26,27,31)
InChIKeyFZWPVTYWIZWDOF-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.26
Rot. Bonds4

About N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408522) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408522
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CCC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)CC1
InChIInChI=1S/C23H28N6O2/c24-13-8-20(30)28-14-11-23(12-15-28)9-6-16(7-10-23)18-2-1-3-19-25-22(27-29(18)19)26-21(31)17-4-5-17/h1-3,16-17H,4-12,14-15H2,(H,26,27,31)
InChIKeyFZWPVTYWIZWDOF-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408522) is N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#CCC(=O)N1CCC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)CC1.
What is the InChIKey of N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FZWPVTYWIZWDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-13-8-20(30)28-14-11-23(12-15-28)9-6-16(7-10-23)18-2-1-3-19-25-22(27-29(18)19)26-21(31)17-4-5-17/h1-3,16-17H,4-12,14-15H2,(H,26,27,31).
What are the key properties of N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).