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

C21H24N6O2 — CID 146408514

IUPACN-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C21H24N6O2/c22-11-8-18(28)26-12-21(13-26)9-6-14(7-10-21)16-2-1-3-17-23-20(25-27(16)17)24-19(29)15-4-5-15/h1-3,14-15H,4-10,12-13H2,(H,24,25,29)
InChIKeyZFZCKEAERAZUAW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.48
Rot. Bonds4

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

N-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408514) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[5-[2-(2-cyanoacetyl)-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-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408514
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C21H24N6O2/c22-11-8-18(28)26-12-21(13-26)9-6-14(7-10-21)16-2-1-3-17-23-20(25-27(16)17)24-19(29)15-4-5-15/h1-3,14-15H,4-10,12-13H2,(H,24,25,29)
InChIKeyZFZCKEAERAZUAW-UHFFFAOYSA-N
XLogP2.48
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.48
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-cyanoacetyl)-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-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408514) is N-[5-[2-(2-cyanoacetyl)-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-cyanoacetyl)-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-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#CCC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1.
What is the InChIKey of N-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZFZCKEAERAZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-11-8-18(28)26-12-21(13-26)9-6-14(7-10-21)16-2-1-3-17-23-20(25-27(16)17)24-19(29)15-4-5-15/h1-3,14-15H,4-10,12-13H2,(H,24,25,29).
What are the key properties of N-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.48, 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-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).