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

C23H26N6O2 — CID 146408516

IUPACN-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CC1(C(=O)N2CC3(CCC(c4cccc5nc(NC(=O)C6CC6)nn45)CC3)C2)CC1
InChIInChI=1S/C23H26N6O2/c24-12-23(10-11-23)20(31)28-13-22(14-28)8-6-15(7-9-22)17-2-1-3-18-25-21(27-29(17)18)26-19(30)16-4-5-16/h1-3,15-16H,4-11,13-14H2,(H,26,27,30)
InChIKeyRMQNBYVKJXQSLH-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.87
Rot. Bonds4

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

N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408516) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408516
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CC1(C(=O)N2CC3(CCC(c4cccc5nc(NC(=O)C6CC6)nn45)CC3)C2)CC1
InChIInChI=1S/C23H26N6O2/c24-12-23(10-11-23)20(31)28-13-22(14-28)8-6-15(7-9-22)17-2-1-3-18-25-21(27-29(17)18)26-19(30)16-4-5-16/h1-3,15-16H,4-11,13-14H2,(H,26,27,30)
InChIKeyRMQNBYVKJXQSLH-UHFFFAOYSA-N
XLogP2.87
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1-cyanocyclopropanecarbonyl)-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-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408516) is N-[5-[2-(1-cyanocyclopropanecarbonyl)-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-(1-cyanocyclopropanecarbonyl)-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-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#CC1(C(=O)N2CC3(CCC(c4cccc5nc(NC(=O)C6CC6)nn45)CC3)C2)CC1.
What is the InChIKey of N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is RMQNBYVKJXQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c24-12-23(10-11-23)20(31)28-13-22(14-28)8-6-15(7-9-22)17-2-1-3-18-25-21(27-29(17)18)26-19(30)16-4-5-16/h1-3,15-16H,4-11,13-14H2,(H,26,27,30).
What are the key properties of N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).