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

C23H28F3N5O2 — CID 146408547

IUPACN-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)CC4)n2n1)C1CC1
InChIInChI=1S/C23H28F3N5O2/c24-23(25,26)14-19(32)30-12-10-22(11-13-30)8-6-15(7-9-22)17-2-1-3-18-27-21(29-31(17)18)28-20(33)16-4-5-16/h1-3,15-16H,4-14H2,(H,28,29,33)
InChIKeyIZUPGSOTNUPIIH-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.30
Rot. Bonds4

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

N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408547) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408547
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC NameN-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)CC4)n2n1)C1CC1
InChIInChI=1S/C23H28F3N5O2/c24-23(25,26)14-19(32)30-12-10-22(11-13-30)8-6-15(7-9-22)17-2-1-3-18-27-21(29-31(17)18)28-20(33)16-4-5-16/h1-3,15-16H,4-14H2,(H,28,29,33)
InChIKeyIZUPGSOTNUPIIH-UHFFFAOYSA-N
XLogP4.30
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-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-[3-(3,3,3-trifluoropropanoyl)-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-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408547) is N-[5-[3-(3,3,3-trifluoropropanoyl)-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-(3,3,3-trifluoropropanoyl)-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-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-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)CC4)n2n1)C1CC1.
What is the InChIKey of N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IZUPGSOTNUPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c24-23(25,26)14-19(32)30-12-10-22(11-13-30)8-6-15(7-9-22)17-2-1-3-18-27-21(29-31(17)18)28-20(33)16-4-5-16/h1-3,15-16H,4-14H2,(H,28,29,33).
What are the key properties of N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,3,3-trifluoropropanoyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).