2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

C26H25F3N4O2 — CID 162126063

IUPAC2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
SMILESC[C@@H]1C[C@H](N)CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCO3)C1
InChIInChI=1S/C26H25F3N4O2/c1-14-9-16(30)13-33(12-14)25-15(11-31-26-17(25)7-8-35-26)10-22(34)21-6-5-20(29)24(32-21)23-18(27)3-2-4-19(23)28/h2-6,11,14,16H,7-10,12-13,30H2,1H3/t14-,16+/m1/s1
InChIKeyZIAUSRIQGMYWBT-ZBFHGGJFSA-N
MW482.51 g/mol
LogP4.09
Rot. Bonds5

About 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (PubChem CID 162126063) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
PubChem CID162126063
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
SMILESC[C@@H]1C[C@H](N)CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCO3)C1
InChIInChI=1S/C26H25F3N4O2/c1-14-9-16(30)13-33(12-14)25-15(11-31-26-17(25)7-8-35-26)10-22(34)21-6-5-20(29)24(32-21)23-18(27)3-2-4-19(23)28/h2-6,11,14,16H,7-10,12-13,30H2,1H3/t14-,16+/m1/s1
InChIKeyZIAUSRIQGMYWBT-ZBFHGGJFSA-N
XLogP4.09
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (CID 162126063) is 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is C[C@@H]1C[C@H](N)CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCO3)C1.
What is the InChIKey of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The InChIKey is ZIAUSRIQGMYWBT-ZBFHGGJFSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-14-9-16(30)13-33(12-14)25-15(11-31-26-17(25)7-8-35-26)10-22(34)21-6-5-20(29)24(32-21)23-18(27)3-2-4-19(23)28/h2-6,11,14,16H,7-10,12-13,30H2,1H3/t14-,16+/m1/s1.
What are the key properties of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone has a molecular weight of 482.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 162126063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).