2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone

C25H23FN4O2 — CID 95834511

IUPAC2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3F)ccc12
InChIInChI=1S/C25H23FN4O2/c1-17-19-13-14-21(27-25(19)30(28-17)18-8-3-2-4-9-18)22-11-7-15-29(22)24(31)16-32-23-12-6-5-10-20(23)26/h2-6,8-10,12-14,22H,7,11,15-16H2,1H3/t22-/m1/s1
InChIKeyFELKMIXNQSCPSJ-JOCHJYFZSA-N
MW430.48 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95834511) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone
PubChem CID95834511
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3F)ccc12
InChIInChI=1S/C25H23FN4O2/c1-17-19-13-14-21(27-25(19)30(28-17)18-8-3-2-4-9-18)22-11-7-15-29(22)24(31)16-32-23-12-6-5-10-20(23)26/h2-6,8-10,12-14,22H,7,11,15-16H2,1H3/t22-/m1/s1
InChIKeyFELKMIXNQSCPSJ-JOCHJYFZSA-N
XLogP4.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92630676
1-[(2R)-2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124949520
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 95832698
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40815012
2-(2-fluorophenoxy)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 97345444
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40918909

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone (CID 95834511) is 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone is Cc1nn(-c2ccccc2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3F)ccc12.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is FELKMIXNQSCPSJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-19-13-14-21(27-25(19)30(28-17)18-8-3-2-4-9-18)22-11-7-15-29(22)24(31)16-32-23-12-6-5-10-20(23)26/h2-6,8-10,12-14,22H,7,11,15-16H2,1H3/t22-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 430.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95834511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).