pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C17H16F3N5O — CID 166207792

IUPACpyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)15-6-9-24(22-15)12-4-3-7-23(11-12)16(26)13-10-21-25-8-2-1-5-14(13)25/h1-2,5-6,8-10,12H,3-4,7,11H2
InChIKeyIXVIKJZEIUVZFP-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.03
Rot. Bonds2

About pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 166207792) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID166207792
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Namepyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)15-6-9-24(22-15)12-4-3-7-23(11-12)16(26)13-10-21-25-8-2-1-5-14(13)25/h1-2,5-6,8-10,12H,3-4,7,11H2
InChIKeyIXVIKJZEIUVZFP-UHFFFAOYSA-N
XLogP3.03
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 166207792) is pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is IXVIKJZEIUVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)15-6-9-24(22-15)12-4-3-7-23(11-12)16(26)13-10-21-25-8-2-1-5-14(13)25/h1-2,5-6,8-10,12H,3-4,7,11H2.
What are the key properties of pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 363.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 166207792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).