5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine

C25H28ClFN4 — CID 158113864

IUPAC5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1cccc(CNc2cncc(-c3cc(CCC[C@H]4CCCNC4)ncc3Cl)c2)c1
InChIInChI=1S/C25H28ClFN4/c26-25-17-31-22(8-2-4-18-6-3-9-28-13-18)12-24(25)20-11-23(16-29-15-20)30-14-19-5-1-7-21(27)10-19/h1,5,7,10-12,15-18,28,30H,2-4,6,8-9,13-14H2/t18-/m0/s1
InChIKeyFQTMHQUSUWNJKH-SFHVURJKSA-N
MW438.98 g/mol
LogP5.87
Rot. Bonds8

About 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine

5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 158113864) has the molecular formula C25H28ClFN4 and a molecular weight of 438.98 g/mol. Its IUPAC name is 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
PubChem CID158113864
Molecular FormulaC25H28ClFN4
Molecular Weight438.98 g/mol
Exact Mass438.20
IUPAC Name5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1cccc(CNc2cncc(-c3cc(CCC[C@H]4CCCNC4)ncc3Cl)c2)c1
InChIInChI=1S/C25H28ClFN4/c26-25-17-31-22(8-2-4-18-6-3-9-28-13-18)12-24(25)20-11-23(16-29-15-20)30-14-19-5-1-7-21(27)10-19/h1,5,7,10-12,15-18,28,30H,2-4,6,8-9,13-14H2/t18-/m0/s1
InChIKeyFQTMHQUSUWNJKH-SFHVURJKSA-N
XLogP5.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine with MolForge

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Related Compounds

8-(2,6-Dichlorophenyl)-4-(2,4-Difluorophenyl)-2-Piperidin-4-Yl-1,7-Naphthyridine 7-Oxide
CID 24899987
N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
4-(2-Chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
CID 24897447
4-(2-Chlorophenyl)-8-(2,6-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
CID 24897658
N-[(3-Chloropyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
4-[2-(4-Chloro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399649
N-[(2S)-2-amino-3-(2,3-dihydro-1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 23646975
5-(6-Chloro-3-pyridinyl)-2-azabicyclo[2.2.2]octane
CID 44395274
4-[2-(3-Chloro-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399361
2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethylamine
CID 44399613
2-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]piperazine
CID 44453570
3-[5-(4-Chlorophenyl)-3-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 122193499

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine (CID 158113864) is 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine is Fc1cccc(CNc2cncc(-c3cc(CCC[C@H]4CCCNC4)ncc3Cl)c2)c1.
What is the InChIKey of 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is FQTMHQUSUWNJKH-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28ClFN4/c26-25-17-31-22(8-2-4-18-6-3-9-28-13-18)12-24(25)20-11-23(16-29-15-20)30-14-19-5-1-7-21(27)10-19/h1,5,7,10-12,15-18,28,30H,2-4,6,8-9,13-14H2/t18-/m0/s1.
What are the key properties of 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?
5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 438.98 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[3-[(3S)-piperidin-3-yl]propyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 158113864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).