3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one

C22H22F3N3O3 — CID 162591089

IUPAC3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
SMILESCNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-9-3-2-4-20(18)28)14-10-17(11-14)30-15-5-7-16(8-6-15)31-22(23,24)25/h2-9,13-14,17,19,26H,10-12H2,1H3
InChIKeyWKPAZZLEMPOHEO-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.25
Rot. Bonds8

About 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one

3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one (PubChem CID 162591089) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
PubChem CID162591089
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
SMILESCNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-9-3-2-4-20(18)28)14-10-17(11-14)30-15-5-7-16(8-6-15)31-22(23,24)25/h2-9,13-14,17,19,26H,10-12H2,1H3
InChIKeyWKPAZZLEMPOHEO-UHFFFAOYSA-N
XLogP4.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
CID 162591090
4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 123612734
N-[3-(3-fluorophenoxy)cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 67963278
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70723973
(4-ethoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124416
1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119287
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-[3-(2,3-difluorophenoxy)cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 67963279
1-(4-bromophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119106
[(3aS,5R,6R,7aR)-5-(4-fluorophenoxy)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 172662963
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124816
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The IUPAC name of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one (CID 162591089) is 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The canonical SMILES for 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one is CNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The InChIKey is WKPAZZLEMPOHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-9-3-2-4-20(18)28)14-10-17(11-14)30-15-5-7-16(8-6-15)31-22(23,24)25/h2-9,13-14,17,19,26H,10-12H2,1H3.
What are the key properties of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one has a molecular weight of 433.43 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one is sourced from PubChem (CID 162591089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).