5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

C38H32N6O8 — CID 14958892

About 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 14958892) has the molecular formula C38H32N6O8 and a molecular weight of 700.71 g/mol. Its IUPAC name is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
• PubChem CID: 14958892
• Molecular Formula: C38H32N6O8
• Molecular Weight: 700.71 g/mol
• Exact Mass: 700.23
• IUPAC Name: 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
• SMILES: COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6C[C@H]7C[C@@]78C6=CC(=O)c6ccccc68)cc54)[nH]c13)CCN2C(N)=O
• InChI: InChI=1S/C38H32N6O8/c1-51-33-27-20(12-24(41-27)36(49)44-15-16-14-38(16)22-6-4-3-5-19(22)25(45)13-26(38)44)17-7-9-42(29(17)31(33)46)35(48)23-11-21-18-8-10-43(37(39)50)30(18)32(47)34(52-2)28(21)40-23/h3-6,11-13,16,40-41,46-47H,7-10,14-15H2,1-2H3,(H2,39,50)/t16-,38-/m1/s1
• InChIKey: VEENFIHWIKNCAR-DLBDVESWSA-N
• XLogP: 4.22
• TPSA: 194.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	700.71
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The IUPAC name of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (CID 14958892) is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide.

What is the SMILES notation for 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The canonical SMILES for 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide is COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6C[C@H]7C[C@@]78C6=CC(=O)c6ccccc68)cc54)[nH]c13)CCN2C(N)=O.

What is the InChIKey of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The InChIKey is VEENFIHWIKNCAR-DLBDVESWSA-N. The full InChI is InChI=1S/C38H32N6O8/c1-51-33-27-20(12-24(41-27)36(49)44-15-16-14-38(16)22-6-4-3-5-19(22)25(45)13-26(38)44)17-7-9-42(29(17)31(33)46)35(48)23-11-21-18-8-10-43(37(39)50)30(18)32(47)34(52-2)28(21)40-23/h3-6,11-13,16,40-41,46-47H,7-10,14-15H2,1-2H3,(H2,39,50)/t16-,38-/m1/s1.

What are the key properties of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide has a molecular weight of 700.71 g/mol, XLogP of 4.22, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide is sourced from PubChem (CID 14958892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).