1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one

C69H66N8O3 — CID 162718960

About 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one

1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one (PubChem CID 162718960) has the molecular formula C69H66N8O3 and a molecular weight of 1055.34 g/mol. Its IUPAC name is 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one.

Molecular Properties

• Compound Name: 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one
• PubChem CID: 162718960
• Molecular Formula: C69H66N8O3
• Molecular Weight: 1055.34 g/mol
• Exact Mass: 1054.53
• IUPAC Name: 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one
• SMILES: COc1cccc(CN2CCC(n3c4ccccc4c4c(C(C(=O)C(c5cn(C)c6ccccc56)c5cccc6c5c5ccccc5n6C5CCN(Cc6cccc(OC)n6)CC5)c5cn(C)c6ccccc56)cccc43)CC2)n1
• InChI: InChI=1S/C69H66N8O3/c1-72-43-55(49-19-5-9-25-57(49)72)67(53-23-15-29-61-65(53)51-21-7-11-27-59(51)76(61)47-33-37-74(38-34-47)41-45-17-13-31-63(70-45)79-3)69(78)68(56-44-73(2)58-26-10-6-20-50(56)58)54-24-16-30-62-66(54)52-22-8-12-28-60(52)77(62)48-35-39-75(40-36-48)42-46-18-14-32-64(71-46)80-4/h5-32,43-44,47-48,67-68H,33-42H2,1-4H3
• InChIKey: MHVIXEXEKZUMEZ-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 87.51 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.34
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The IUPAC name of 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one (CID 162718960) is 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one.

What is the SMILES notation for 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The canonical SMILES for 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one is COc1cccc(CN2CCC(n3c4ccccc4c4c(C(C(=O)C(c5cn(C)c6ccccc56)c5cccc6c5c5ccccc5n6C5CCN(Cc6cccc(OC)n6)CC5)c5cn(C)c6ccccc56)cccc43)CC2)n1.

What is the InChIKey of 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The InChIKey is MHVIXEXEKZUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H66N8O3/c1-72-43-55(49-19-5-9-25-57(49)72)67(53-23-15-29-61-65(53)51-21-7-11-27-59(51)76(61)47-33-37-74(38-34-47)41-45-17-13-31-63(70-45)79-3)69(78)68(56-44-73(2)58-26-10-6-20-50(56)58)54-24-16-30-62-66(54)52-22-8-12-28-60(52)77(62)48-35-39-75(40-36-48)42-46-18-14-32-64(71-46)80-4/h5-32,43-44,47-48,67-68H,33-42H2,1-4H3.

What are the key properties of 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one has a molecular weight of 1055.34 g/mol, XLogP of 13.90, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[9-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one is sourced from PubChem (CID 162718960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).