5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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

C39H35N7O8 — CID 154987199

IUPAC5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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
SMILESCOc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6CC7C8C[C@@]89c8c(C)c[nH]c8C(=O)C=C6[C@H]79)cc54)[nH]c13)CCN2C(N)=O
InChIInChI=1S/C39H35N7O8/c1-14-12-41-29-24(47)10-23-26-19(20-11-39(20,26)25(14)29)13-46(23)37(51)22-9-17-15-4-6-44(30(15)32(48)34(53-2)27(17)43-22)36(50)21-8-18-16-5-7-45(38(40)52)31(16)33(49)35(54-3)28(18)42-21/h8-10,12,19-20,26,41-43,48-49H,4-7,11,13H2,1-3H3,(H2,40,52)/t19?,20?,26-,39-/m0/s1
InChIKeyAKBBYYWJYPCGBL-PNCBVMSGSA-N
MW729.75 g/mol
LogP4.10
Rot. Bonds4

About 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 154987199) has the molecular formula C39H35N7O8 and a molecular weight of 729.75 g/mol. Its IUPAC name is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 Name5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 CID154987199
Molecular FormulaC39H35N7O8
Molecular Weight729.75 g/mol
Exact Mass729.25
IUPAC Name5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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
SMILESCOc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6CC7C8C[C@@]89c8c(C)c[nH]c8C(=O)C=C6[C@H]79)cc54)[nH]c13)CCN2C(N)=O
InChIInChI=1S/C39H35N7O8/c1-14-12-41-29-24(47)10-23-26-19(20-11-39(20,26)25(14)29)13-46(23)37(51)22-9-17-15-4-6-44(30(15)32(48)34(53-2)27(17)43-22)36(50)21-8-18-16-5-7-45(38(40)52)31(16)33(49)35(54-3)28(18)42-21/h8-10,12,19-20,26,41-43,48-49H,4-7,11,13H2,1-3H3,(H2,40,52)/t19?,20?,26-,39-/m0/s1
InChIKeyAKBBYYWJYPCGBL-PNCBVMSGSA-N
XLogP4.10
TPSA210.31 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.75
LogP ≤ 54.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 154987199) is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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)N6CC7C8C[C@@]89c8c(C)c[nH]c8C(=O)C=C6[C@H]79)cc54)[nH]c13)CCN2C(N)=O.
What is the InChIKey of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 AKBBYYWJYPCGBL-PNCBVMSGSA-N. The full InChI is InChI=1S/C39H35N7O8/c1-14-12-41-29-24(47)10-23-26-19(20-11-39(20,26)25(14)29)13-46(23)37(51)22-9-17-15-4-6-44(30(15)32(48)34(53-2)27(17)43-22)36(50)21-8-18-16-5-7-45(38(40)52)31(16)33(49)35(54-3)28(18)42-21/h8-10,12,19-20,26,41-43,48-49H,4-7,11,13H2,1-3H3,(H2,40,52)/t19?,20?,26-,39-/m0/s1.
What are the key properties of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 729.75 g/mol, XLogP of 4.10, 4 rotatable bonds, 6 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,15R)-3-methyl-7-oxo-5,10-diazapentacyclo[7.5.1.01,13.02,6.012,15]pentadeca-2(6),3,8-triene-10-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 154987199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).