2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone

C24H23F3N4O2 — CID 159639493

IUPAC2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone
SMILESNC1CC(CO)CN(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C1
InChIInChI=1S/C24H23F3N4O2/c25-17-2-1-3-18(26)23(17)20-5-4-19(27)24(30-20)22(33)9-15-10-29-7-6-21(15)31-11-14(13-32)8-16(28)12-31/h1-7,10,14,16,32H,8-9,11-13,28H2
InChIKeyVFUBUEAHDJNSHI-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.13
Rot. Bonds6

About 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone

2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone (PubChem CID 159639493) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone
PubChem CID159639493
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone
SMILESNC1CC(CO)CN(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C1
InChIInChI=1S/C24H23F3N4O2/c25-17-2-1-3-18(26)23(17)20-5-4-19(27)24(30-20)22(33)9-15-10-29-7-6-21(15)31-11-14(13-32)8-16(28)12-31/h1-7,10,14,16,32H,8-9,11-13,28H2
InChIKeyVFUBUEAHDJNSHI-UHFFFAOYSA-N
XLogP3.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
1-[5-amino-2-(2-fluorophenyl)pyrimidin-4-yl]-2-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-3-pyridinyl]ethanone;methane
CID 159097946
1-[3-amino-6-(3-butoxy-2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 157344941
[(3R,5S)-1-[3-[[2-(2,6-difluorophenyl)quinolin-8-yl]amino]-4-pyridinyl]-5-methylpiperidin-3-yl]methanol
CID 70908466
3-[5-amino-6-[2-[4-[(3S,5S)-3-amino-5-hydroxypiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
CID 158185517
1-[5-amino-2-(2,6-difluorophenyl)pyrimidin-4-yl]-2-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]ethanone
CID 159989441
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]ethanone
CID 160852286
1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)piperidin-1-yl]-3-pyridinyl]ethanone
CID 147214732
2-[4-[(3S,4S)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 159034664
(3R,5S)-5-amino-1-[3-[[2-(2,6-difluorophenyl)quinolin-8-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 46186005
N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
CID 143951592
2-[3-amino-2-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]-3-fluorobenzamide
CID 161025500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone (CID 159639493) is 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone is NC1CC(CO)CN(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C1.
What is the InChIKey of 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone?
The InChIKey is VFUBUEAHDJNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-17-2-1-3-18(26)23(17)20-5-4-19(27)24(30-20)22(33)9-15-10-29-7-6-21(15)31-11-14(13-32)8-16(28)12-31/h1-7,10,14,16,32H,8-9,11-13,28H2.
What are the key properties of 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone?
2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone has a molecular weight of 456.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 159639493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).