2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine

C25H24Cl2N4 — CID 143779119

About 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine

2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine (PubChem CID 143779119) has the molecular formula C25H24Cl2N4 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
• PubChem CID: 143779119
• Molecular Formula: C25H24Cl2N4
• Molecular Weight: 451.40 g/mol
• Exact Mass: 450.14
• IUPAC Name: 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
• SMILES: Cc1cccc2c(CCNc3c(Cl)cc(Nc4ccnc5c4CCC5)cc3Cl)c[nH]c12
• InChI: InChI=1S/C25H24Cl2N4/c1-15-4-2-5-18-16(14-30-24(15)18)8-10-29-25-20(26)12-17(13-21(25)27)31-23-9-11-28-22-7-3-6-19(22)23/h2,4-5,9,11-14,29-30H,3,6-8,10H2,1H3,(H,28,31)
• InChIKey: YRHMIQCRDYIZLO-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 52.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.40
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?

The IUPAC name of 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine (CID 143779119) is 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine.

What is the SMILES notation for 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?

The canonical SMILES for 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine is Cc1cccc2c(CCNc3c(Cl)cc(Nc4ccnc5c4CCC5)cc3Cl)c[nH]c12.

What is the InChIKey of 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?

The InChIKey is YRHMIQCRDYIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4/c1-15-4-2-5-18-16(14-30-24(15)18)8-10-29-25-20(26)12-17(13-21(25)27)31-23-9-11-28-22-7-3-6-19(22)23/h2,4-5,9,11-14,29-30H,3,6-8,10H2,1H3,(H,28,31).

What are the key properties of 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?

2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine has a molecular weight of 451.40 g/mol, XLogP of 7.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 143779119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).