[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone

C26H23F3N4O2 — CID 170978088

IUPAC[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C26H23F3N4O2/c1-25(17-35-21-12-11-19(16-30-21)26(27,28)29)13-7-14-32(25)24(34)22-20-10-5-6-15-33(20)31-23(22)18-8-3-2-4-9-18/h2-6,8-12,15-16H,7,13-14,17H2,1H3/t25-/m0/s1
InChIKeyFBAOSEZJTFAKJW-VWLOTQADSA-N
MW480.49 g/mol
LogP5.49
Rot. Bonds5

About [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone

[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 170978088) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID170978088
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C26H23F3N4O2/c1-25(17-35-21-12-11-19(16-30-21)26(27,28)29)13-7-14-32(25)24(34)22-20-10-5-6-15-33(20)31-23(22)18-8-3-2-4-9-18/h2-6,8-12,15-16H,7,13-14,17H2,1H3/t25-/m0/s1
InChIKeyFBAOSEZJTFAKJW-VWLOTQADSA-N
XLogP5.49
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170977522
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 155383470
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357
(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 170977389
[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170965321
[(2S,3R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170977484
2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3736388
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
CID 175419170
ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 25243551
(3R)-3-phenyl-3-pyrrol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 124879828
[5-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 130249768

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 170978088) is [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone is C[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is FBAOSEZJTFAKJW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-25(17-35-21-12-11-19(16-30-21)26(27,28)29)13-7-14-32(25)24(34)22-20-10-5-6-15-33(20)31-23(22)18-8-3-2-4-9-18/h2-6,8-12,15-16H,7,13-14,17H2,1H3/t25-/m0/s1.
What are the key properties of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 480.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170978088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).