1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]

C16H24F3N5 — CID 167205379

IUPAC1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]
SMILESFC(F)(F)c1nnc2n1CCC1(CCN(CC3CCNC3)CC1)C2
InChIInChI=1S/C16H24F3N5/c17-16(18,19)14-22-21-13-9-15(4-8-24(13)14)2-6-23(7-3-15)11-12-1-5-20-10-12/h12,20H,1-11H2
InChIKeyZCKIKYLLPDYUFP-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.93
Rot. Bonds2

About 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]

1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] (PubChem CID 167205379) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]
PubChem CID167205379
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Name1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]
SMILESFC(F)(F)c1nnc2n1CCC1(CCN(CC3CCNC3)CC1)C2
InChIInChI=1S/C16H24F3N5/c17-16(18,19)14-22-21-13-9-15(4-8-24(13)14)2-6-23(7-3-15)11-12-1-5-20-10-12/h12,20H,1-11H2
InChIKeyZCKIKYLLPDYUFP-UHFFFAOYSA-N
XLogP1.93
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] (CID 167205379) is 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] is FC(F)(F)c1nnc2n1CCC1(CCN(CC3CCNC3)CC1)C2.
What is the InChIKey of 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]?
The InChIKey is ZCKIKYLLPDYUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5/c17-16(18,19)14-22-21-13-9-15(4-8-24(13)14)2-6-23(7-3-15)11-12-1-5-20-10-12/h12,20H,1-11H2.
What are the key properties of 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine]?
1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] has a molecular weight of 343.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)spiro[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-7,4'-piperidine] is sourced from PubChem (CID 167205379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).