6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine

C29H35ClFN5 — CID 58127332

IUPAC6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESCN1CCN(C2CCC(Cc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1
InChIInChI=1S/C29H35ClFN5/c1-35-12-14-36(15-13-35)25-10-8-21(9-11-25)17-24-18-26(27(30)20-32-24)28-6-3-7-29(34-28)33-19-22-4-2-5-23(31)16-22/h2-7,16,18,20-21,25H,8-15,17,19H2,1H3,(H,33,34)
InChIKeyJGVDTDZRGAXJFY-UHFFFAOYSA-N
MW508.09 g/mol
LogP5.90
Rot. Bonds7

About 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine

6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 58127332) has the molecular formula C29H35ClFN5 and a molecular weight of 508.09 g/mol. Its IUPAC name is 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
PubChem CID58127332
Molecular FormulaC29H35ClFN5
Molecular Weight508.09 g/mol
Exact Mass507.26
IUPAC Name6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESCN1CCN(C2CCC(Cc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1
InChIInChI=1S/C29H35ClFN5/c1-35-12-14-36(15-13-35)25-10-8-21(9-11-25)17-24-18-26(27(30)20-32-24)28-6-3-7-29(34-28)33-19-22-4-2-5-23(31)16-22/h2-7,16,18,20-21,25H,8-15,17,19H2,1H3,(H,33,34)
InChIKeyJGVDTDZRGAXJFY-UHFFFAOYSA-N
XLogP5.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.09
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
4-(2-(4-(2-Aminoethyl)Piperazin-1-Yl)Pyridin-4-Yl)-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine
CID 656967
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11496213

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine (CID 58127332) is 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine is CN1CCN(C2CCC(Cc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1.
What is the InChIKey of 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is JGVDTDZRGAXJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClFN5/c1-35-12-14-36(15-13-35)25-10-8-21(9-11-25)17-24-18-26(27(30)20-32-24)28-6-3-7-29(34-28)33-19-22-4-2-5-23(31)16-22/h2-7,16,18,20-21,25H,8-15,17,19H2,1H3,(H,33,34).
What are the key properties of 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 508.09 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 58127332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).