1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone

C21H23FN4O2 — CID 71199159

IUPAC1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
SMILESCOC1(Cc2ccc(F)cc2)CCN(C(=O)Cn2ncc3ccncc32)CC1
InChIInChI=1S/C21H23FN4O2/c1-28-21(12-16-2-4-18(22)5-3-16)7-10-25(11-8-21)20(27)15-26-19-14-23-9-6-17(19)13-24-26/h2-6,9,13-14H,7-8,10-12,15H2,1H3
InChIKeyCHTMRXRKYVRTFD-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.82
Rot. Bonds5

About 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone

1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone (PubChem CID 71199159) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
PubChem CID71199159
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
SMILESCOC1(Cc2ccc(F)cc2)CCN(C(=O)Cn2ncc3ccncc32)CC1
InChIInChI=1S/C21H23FN4O2/c1-28-21(12-16-2-4-18(22)5-3-16)7-10-25(11-8-21)20(27)15-26-19-14-23-9-6-17(19)13-24-26/h2-6,9,13-14H,7-8,10-12,15H2,1H3
InChIKeyCHTMRXRKYVRTFD-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone with MolForge

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Related Compounds

1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 164691194
ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate
CID 155778337
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 20890635
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 126459256
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 23601411
1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70967394
1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 132776946
methyl 2-[[4-[(4-fluorophenyl)methyl]-1-[2-[4-[2-hydroxy-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]phenyl]acetyl]piperidine-4-carbonyl]amino]acetate
CID 136506353
2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
CID 135308148
1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-[4-[2-hydroxy-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]phenyl]ethanone
CID 135399806
4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
CID 56900262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone (CID 71199159) is 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone is COC1(Cc2ccc(F)cc2)CCN(C(=O)Cn2ncc3ccncc32)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The InChIKey is CHTMRXRKYVRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-28-21(12-16-2-4-18(22)5-3-16)7-10-25(11-8-21)20(27)15-26-19-14-23-9-6-17(19)13-24-26/h2-6,9,13-14H,7-8,10-12,15H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone has a molecular weight of 382.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone is sourced from PubChem (CID 71199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).