pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C22H22F3N3O — CID 56868788

IUPACpyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)18-7-3-5-16(13-18)9-10-17-6-4-11-27(15-17)21(29)19-14-26-28-12-2-1-8-20(19)28/h1-3,5,7-8,12-14,17H,4,6,9-11,15H2
InChIKeyYSQINVQMNRLDHC-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.84
Rot. Bonds4

About pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56868788) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56868788
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Namepyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)18-7-3-5-16(13-18)9-10-17-6-4-11-27(15-17)21(29)19-14-26-28-12-2-1-8-20(19)28/h1-3,5,7-8,12-14,17H,4,6,9-11,15H2
InChIKeyYSQINVQMNRLDHC-UHFFFAOYSA-N
XLogP4.84
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56868788) is pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1cnn2ccccc12)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is YSQINVQMNRLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-3-5-16(13-18)9-10-17-6-4-11-27(15-17)21(29)19-14-26-28-12-2-1-8-20(19)28/h1-3,5,7-8,12-14,17H,4,6,9-11,15H2.
What are the key properties of pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 401.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridin-3-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56868788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).