[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H19F3N4O — CID 90571422

IUPAC[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-4-15(12-16)19(28)26-10-8-25(9-11-26)14-17-13-18-6-1-2-7-27(18)24-17/h1-7,12-13H,8-11,14H2
InChIKeyGLVBNTLSLJYLNT-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.31
Rot. Bonds3

About [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 90571422) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID90571422
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-4-15(12-16)19(28)26-10-8-25(9-11-26)14-17-13-18-6-1-2-7-27(18)24-17/h1-7,12-13H,8-11,14H2
InChIKeyGLVBNTLSLJYLNT-UHFFFAOYSA-N
XLogP3.31
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
CID 90571532
(4-chloro-3-nitrophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571420
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
(2-chloro-4-fluorophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571504
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
N-(2-fluorophenyl)-4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 90571599
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 47524815
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
(3-bromophenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329650

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 90571422) is [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GLVBNTLSLJYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-4-15(12-16)19(28)26-10-8-25(9-11-26)14-17-13-18-6-1-2-7-27(18)24-17/h1-7,12-13H,8-11,14H2.
What are the key properties of [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90571422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).