2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

C26H26F3N5O — CID 153152566

IUPAC2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
SMILESN[C@H]1CCCN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1
InChIInChI=1S/C26H26F3N5O/c27-18-6-1-7-19(28)23(18)24-20(29)8-9-21(33-24)22(35)12-15-13-32-26-17(5-2-10-31-26)25(15)34-11-3-4-16(30)14-34/h1,6-9,13,16H,2-5,10-12,14,30H2,(H,31,32)/t16-/m0/s1
InChIKeyWATQSIKVXTYYMN-INIZCTEOSA-N
MW481.52 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (PubChem CID 153152566) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
PubChem CID153152566
Molecular FormulaC26H26F3N5O
Molecular Weight481.52 g/mol
Exact Mass481.21
IUPAC Name2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
SMILESN[C@H]1CCCN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1
InChIInChI=1S/C26H26F3N5O/c27-18-6-1-7-19(28)23(18)24-20(29)8-9-21(33-24)22(35)12-15-13-32-26-17(5-2-10-31-26)25(15)34-11-3-4-16(30)14-34/h1,6-9,13,16H,2-5,10-12,14,30H2,(H,31,32)/t16-/m0/s1
InChIKeyWATQSIKVXTYYMN-INIZCTEOSA-N
XLogP4.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-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)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (CID 153152566) is 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is N[C@H]1CCCN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1.
What is the InChIKey of 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
The InChIKey is WATQSIKVXTYYMN-INIZCTEOSA-N. The full InChI is InChI=1S/C26H26F3N5O/c27-18-6-1-7-19(28)23(18)24-20(29)8-9-21(33-24)22(35)12-15-13-32-26-17(5-2-10-31-26)25(15)34-11-3-4-16(30)14-34/h1,6-9,13,16H,2-5,10-12,14,30H2,(H,31,32)/t16-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?
2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone has a molecular weight of 481.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 153152566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).