bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride

C46H41Cl3N6 — CID 159524619

IUPACbis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride
SMILESCc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cl
InChIInChI=1S/2C23H20ClN3.ClH/c2*1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18;/h2*2-14H,15H2,1H3,(H2,25,26);1H
InChIKeyPUKPRLQDJMOZKC-UHFFFAOYSA-N
MW784.24 g/mol
LogP12.04
Rot. Bonds8

About bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride

bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride (PubChem CID 159524619) has the molecular formula C46H41Cl3N6 and a molecular weight of 784.24 g/mol. Its IUPAC name is bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride.

Molecular Properties

Compound Namebis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride
PubChem CID159524619
Molecular FormulaC46H41Cl3N6
Molecular Weight784.24 g/mol
Exact Mass782.25
IUPAC Namebis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride
SMILESCc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cl
InChIInChI=1S/2C23H20ClN3.ClH/c2*1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18;/h2*2-14H,15H2,1H3,(H2,25,26);1H
InChIKeyPUKPRLQDJMOZKC-UHFFFAOYSA-N
XLogP12.04
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.24
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(2-Chlorophenyl)-5-(4-pyridin-3-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 11546606
6-[[2-(2-Chlorophenyl)-5-(4-phenylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 11597268
6-[[2-(2-Chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 11655048
6-[[2-(2-Chlorophenyl)-5-[4-(1,2-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
CID 11669330
6-[[2-(2-Chlorophenyl)-5-[4-(pentylamino)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
CID 11669460
6-[[2-(2-Chlorophenyl)-5-[4-(pentylamino)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine;hydrochloride
CID 46893575
6-[[2-(2-Chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 59341180
6-[[2-(2-Chlorophenyl)-5-pyridin-3-ylpyrrol-1-yl]methyl]pyridin-2-amine
CID 59443749
6-[[2-(4-Aminophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 68483061
6-[[2-(2-Chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
CID 91052720
6-[4-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 91335738
N',N'-bis[[9-butyl-1-(2-chlorophenyl)pyrido[3,4-b]indol-3-yl]methyl]pentane-1,5-diamine
CID 141373677

Frequently Asked Questions

What is the IUPAC name of bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?
The IUPAC name of bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride (CID 159524619) is bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride.
What is the SMILES notation for bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?
The canonical SMILES for bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride is Cc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Cl.
What is the InChIKey of bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?
The InChIKey is PUKPRLQDJMOZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20ClN3.ClH/c2*1-16-9-11-17(12-10-16)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-18-5-4-8-23(25)26-18;/h2*2-14H,15H2,1H3,(H2,25,26);1H.
What are the key properties of bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?
bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride has a molecular weight of 784.24 g/mol, XLogP of 12.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[[2-(2-chlorophenyl)-5-(4-methylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride is sourced from PubChem (CID 159524619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).