2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

C20H21FN4O2 — CID 110237560

IUPAC2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCCN(C(=O)COc3ccccc3F)C2)c2cccnc21
InChIInChI=1S/C20H21FN4O2/c1-24-20-15(7-4-10-22-20)19(23-24)14-6-5-11-25(12-14)18(26)13-27-17-9-3-2-8-16(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyDFQOIVZHNPFXJB-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 110237560) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID110237560
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCCN(C(=O)COc3ccccc3F)C2)c2cccnc21
InChIInChI=1S/C20H21FN4O2/c1-24-20-15(7-4-10-22-20)19(23-24)14-6-5-11-25(12-14)18(26)13-27-17-9-3-2-8-16(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyDFQOIVZHNPFXJB-UHFFFAOYSA-N
XLogP2.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110237545
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093714
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124727622
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone (CID 110237560) is 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone is Cn1nc(C2CCCN(C(=O)COc3ccccc3F)C2)c2cccnc21.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is DFQOIVZHNPFXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24-20-15(7-4-10-22-20)19(23-24)14-6-5-11-25(12-14)18(26)13-27-17-9-3-2-8-16(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 368.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110237560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).