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

C22H22F3N3O3 — CID 162591090

IUPAC3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
SMILESCNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-8-3-2-7-20(18)28)14-9-17(10-14)30-15-5-4-6-16(11-15)31-22(23,24)25/h2-8,11,13-14,17,19,26H,9-10,12H2,1H3
InChIKeyHBDJSNMDCAEUQX-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.25
Rot. Bonds8

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

3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one (PubChem CID 162591090) 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-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
PubChem CID162591090
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
SMILESCNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-8-3-2-7-20(18)28)14-9-17(10-14)30-15-5-4-6-16(11-15)31-22(23,24)25/h2-8,11,13-14,17,19,26H,9-10,12H2,1H3
InChIKeyHBDJSNMDCAEUQX-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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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The IUPAC name of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one (CID 162591090) is 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The canonical SMILES for 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one is CNC(CC(=O)c1cnn2ccccc12)C1CC(Oc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
The InChIKey is HBDJSNMDCAEUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-26-19(12-21(29)18-13-27-28-8-3-2-7-20(18)28)14-9-17(10-14)30-15-5-4-6-16(11-15)31-22(23,24)25/h2-8,11,13-14,17,19,26H,9-10,12H2,1H3.
What are the key properties of 3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one?
3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(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-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one is sourced from PubChem (CID 162591090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).