N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H26F3N5O2 — CID 146408523

IUPACN-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)12-18(31)29-11-10-21(13-29)8-6-14(7-9-21)16-2-1-3-17-26-20(28-30(16)17)27-19(32)15-4-5-15/h1-3,14-15H,4-13H2,(H,27,28,32)
InChIKeyDFYLYUZYTTWHMK-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.91
Rot. Bonds4

About N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408523) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408523
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)12-18(31)29-11-10-21(13-29)8-6-14(7-9-21)16-2-1-3-17-26-20(28-30(16)17)27-19(32)15-4-5-15/h1-3,14-15H,4-13H2,(H,27,28,32)
InChIKeyDFYLYUZYTTWHMK-UHFFFAOYSA-N
XLogP3.91
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-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-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408523) is N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)C4)n2n1)C1CC1.
What is the InChIKey of N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DFYLYUZYTTWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c23-22(24,25)12-18(31)29-11-10-21(13-29)8-6-14(7-9-21)16-2-1-3-17-26-20(28-30(16)17)27-19(32)15-4-5-15/h1-3,14-15H,4-13H2,(H,27,28,32).
What are the key properties of N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).