5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine

C26H31ClFN5 — CID 70793967

IUPAC5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine
SMILESCC(C)CN1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H31ClFN5/c1-18(2)17-33-11-9-21(10-12-33)31-26-14-22(23(27)16-30-26)24-7-4-8-25(32-24)29-15-19-5-3-6-20(28)13-19/h3-8,13-14,16,18,21H,9-12,15,17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyMYLDFXUAXLEGDB-UHFFFAOYSA-N
MW468.02 g/mol
LogP6.08
Rot. Bonds8

About 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 70793967) has the molecular formula C26H31ClFN5 and a molecular weight of 468.02 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine
PubChem CID70793967
Molecular FormulaC26H31ClFN5
Molecular Weight468.02 g/mol
Exact Mass467.23
IUPAC Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine
SMILESCC(C)CN1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H31ClFN5/c1-18(2)17-33-11-9-21(10-12-33)31-26-14-22(23(27)16-30-26)24-7-4-8-25(32-24)29-15-19-5-3-6-20(28)13-19/h3-8,13-14,16,18,21H,9-12,15,17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyMYLDFXUAXLEGDB-UHFFFAOYSA-N
XLogP6.08
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.02
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine with MolForge

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Related Compounds

5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine
CID 6519698
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(4-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001133
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine (CID 70793967) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine is CC(C)CN1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is MYLDFXUAXLEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5/c1-18(2)17-33-11-9-21(10-12-33)31-26-14-22(23(27)16-30-26)24-7-4-8-25(32-24)29-15-19-5-3-6-20(28)13-19/h3-8,13-14,16,18,21H,9-12,15,17H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine?
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 468.02 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 70793967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).