9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole

C44H31FN6 — CID 67966054

About 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole

9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 67966054) has the molecular formula C44H31FN6 and a molecular weight of 662.77 g/mol. Its IUPAC name is 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole
• PubChem CID: 67966054
• Molecular Formula: C44H31FN6
• Molecular Weight: 662.77 g/mol
• Exact Mass: 662.26
• IUPAC Name: 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole
• SMILES: Fc1cc(-c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cccnc65)cc4)=CCC3)n2)cc(-n2c3c(c4ccccc42)CCC=N3)c1
• InChI: InChI=1S/C44H31FN6/c45-30-25-29(26-32(27-30)51-42-18-4-2-10-34(42)36-12-8-24-47-44(36)51)38-14-6-16-40(49-38)39-15-5-13-37(48-39)28-19-21-31(22-20-28)50-41-17-3-1-9-33(41)35-11-7-23-46-43(35)50/h1-4,6-7,9-11,13-14,16-27H,5,8,12,15H2
• InChIKey: FPABDCKSUGDJGN-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 60.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.77
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?

The IUPAC name of 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole (CID 67966054) is 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole is Fc1cc(-c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cccnc65)cc4)=CCC3)n2)cc(-n2c3c(c4ccccc42)CCC=N3)c1.

What is the InChIKey of 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?

The InChIKey is FPABDCKSUGDJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31FN6/c45-30-25-29(26-32(27-30)51-42-18-4-2-10-34(42)36-12-8-24-47-44(36)51)38-14-6-16-40(49-38)39-15-5-13-37(48-39)28-19-21-31(22-20-28)50-41-17-3-1-9-33(41)35-11-7-23-46-43(35)50/h1-4,6-7,9-11,13-14,16-27H,5,8,12,15H2.

What are the key properties of 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?

9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole has a molecular weight of 662.77 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[6-[3-(3,4-dihydropyrido[2,3-b]indol-9-yl)-5-fluorophenyl]-2-pyridinyl]-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 67966054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).