N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C23H28FN5O2 — CID 86965207

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)COc3nn(C)c4nc(C)cc(C)c34)C2)c1
InChIInChI=1S/C23H28FN5O2/c1-14-7-8-18(24)19(10-14)29-9-5-6-17(12-29)26-20(30)13-31-23-21-15(2)11-16(3)25-22(21)28(4)27-23/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,26,30)
InChIKeyKSPPMIQHIRJHLN-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 86965207) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID86965207
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)COc3nn(C)c4nc(C)cc(C)c34)C2)c1
InChIInChI=1S/C23H28FN5O2/c1-14-7-8-18(24)19(10-14)29-9-5-6-17(12-29)26-20(30)13-31-23-21-15(2)11-16(3)25-22(21)28(4)27-23/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,26,30)
InChIKeyKSPPMIQHIRJHLN-UHFFFAOYSA-N
XLogP3.20
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86965305
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966242
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 86965233
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965270
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86965315
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 86965207) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1ccc(F)c(N2CCCC(NC(=O)COc3nn(C)c4nc(C)cc(C)c34)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is KSPPMIQHIRJHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-14-7-8-18(24)19(10-14)29-9-5-6-17(12-29)26-20(30)13-31-23-21-15(2)11-16(3)25-22(21)28(4)27-23/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 425.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 86965207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).