2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

C23H23ClFN5O — CID 58284775

IUPAC2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESO=C(Cc1cc(-c2cccc(NCc3cncc(F)c3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H23ClFN5O/c24-20-14-28-18(9-22(31)16-3-2-6-26-12-16)8-19(20)21-4-1-5-23(30-21)29-11-15-7-17(25)13-27-10-15/h1,4-5,7-8,10,13-14,16,26H,2-3,6,9,11-12H2,(H,29,30)/t16-/m1/s1
InChIKeyITPWYOKTDILJJF-MRXNPFEDSA-N
MW439.92 g/mol
LogP4.05
Rot. Bonds7

About 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (PubChem CID 58284775) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
PubChem CID58284775
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESO=C(Cc1cc(-c2cccc(NCc3cncc(F)c3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H23ClFN5O/c24-20-14-28-18(9-22(31)16-3-2-6-26-12-16)8-19(20)21-4-1-5-23(30-21)29-11-15-7-17(25)13-27-10-15/h1,4-5,7-8,10,13-14,16,26H,2-3,6,9,11-12H2,(H,29,30)/t16-/m1/s1
InChIKeyITPWYOKTDILJJF-MRXNPFEDSA-N
XLogP4.05
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
Cdk9-IN-2
CID 49855228
(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
N-[5-(3-chloropyridin-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071781
(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995663
[3-(5-Chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 91799673
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(3,5-difluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 50908321
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
N2'-((1R,3R)-3-aminocyclopentyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127237
(1S,3R)-3-(5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridin-2'-yl-amino)-N,N-dimethylcyclopentanecarboxamide
CID 58127273

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The IUPAC name of 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (CID 58284775) is 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.
What is the SMILES notation for 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The canonical SMILES for 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is O=C(Cc1cc(-c2cccc(NCc3cncc(F)c3)n2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The InChIKey is ITPWYOKTDILJJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c24-20-14-28-18(9-22(31)16-3-2-6-26-12-16)8-19(20)21-4-1-5-23(30-21)29-11-15-7-17(25)13-27-10-15/h1,4-5,7-8,10,13-14,16,26H,2-3,6,9,11-12H2,(H,29,30)/t16-/m1/s1.
What are the key properties of 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone has a molecular weight of 439.92 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is sourced from PubChem (CID 58284775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).