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

C24H21F3N6O2 — CID 170977522

IUPAC[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ncccn2)nn2ccccc12
InChIInChI=1S/C24H21F3N6O2/c1-23(15-35-18-8-7-16(14-30-18)24(25,26)27)9-4-12-32(23)22(34)19-17-6-2-3-13-33(17)31-20(19)21-28-10-5-11-29-21/h2-3,5-8,10-11,13-14H,4,9,12,15H2,1H3/t23-/m0/s1
InChIKeyFOTIKJDFLVFADT-QHCPKHFHSA-N
MW482.47 g/mol
LogP4.28
Rot. Bonds5

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

[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 170977522) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID170977522
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ncccn2)nn2ccccc12
InChIInChI=1S/C24H21F3N6O2/c1-23(15-35-18-8-7-16(14-30-18)24(25,26)27)9-4-12-32(23)22(34)19-17-6-2-3-13-33(17)31-20(19)21-28-10-5-11-29-21/h2-3,5-8,10-11,13-14H,4,9,12,15H2,1H3/t23-/m0/s1
InChIKeyFOTIKJDFLVFADT-QHCPKHFHSA-N
XLogP4.28
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170978088
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 155383470
[(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
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357
(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 118320187
(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 123739011
[3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 163502547
(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
CID 175419170
[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
(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 118320050
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123536705
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(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) is [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[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-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is C[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1c(-c2ncccn2)nn2ccccc12.
What is the InChIKey of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is FOTIKJDFLVFADT-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-23(15-35-18-8-7-16(14-30-18)24(25,26)27)9-4-12-32(23)22(34)19-17-6-2-3-13-33(17)31-20(19)21-28-10-5-11-29-21/h2-3,5-8,10-11,13-14H,4,9,12,15H2,1H3/t23-/m0/s1.
What are the key properties of [(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 482.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).