2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone

C23H24FN5O — CID 147539915

IUPAC2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone
SMILESNc1ccc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](F)C1
InChIInChI=1S/C23H24FN5O/c24-17-11-18(25)14-29(13-17)21-8-9-27-12-16(21)10-22(30)23-19(26)6-7-20(28-23)15-4-2-1-3-5-15/h1-9,12,17-18H,10-11,13-14,25-26H2/t17-,18+/m1/s1
InChIKeyFORWFKXENIQXER-MSOLQXFVSA-N
MW405.48 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone

2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone (PubChem CID 147539915) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone
PubChem CID147539915
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone
SMILESNc1ccc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](F)C1
InChIInChI=1S/C23H24FN5O/c24-17-11-18(25)14-29(13-17)21-8-9-27-12-16(21)10-22(30)23-19(26)6-7-20(28-23)15-4-2-1-3-5-15/h1-9,12,17-18H,10-11,13-14,25-26H2/t17-,18+/m1/s1
InChIKeyFORWFKXENIQXER-MSOLQXFVSA-N
XLogP3.03
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

Lgh-447
CID 44814409
N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226518
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937649
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-pyridyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280253
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
3-amino-N-[4-(2-amino-4-pyridinyl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161034
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68162802

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone?
The IUPAC name of 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone (CID 147539915) is 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone is Nc1ccc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1C[C@@H](N)C[C@@H](F)C1.
What is the InChIKey of 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone?
The InChIKey is FORWFKXENIQXER-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-17-11-18(25)14-29(13-17)21-8-9-27-12-16(21)10-22(30)23-19(26)6-7-20(28-23)15-4-2-1-3-5-15/h1-9,12,17-18H,10-11,13-14,25-26H2/t17-,18+/m1/s1.
What are the key properties of 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone?
2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone has a molecular weight of 405.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-1-(3-amino-6-phenyl-2-pyridinyl)ethanone is sourced from PubChem (CID 147539915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).