5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

C37H35N7O7 — CID 156530335

IUPAC5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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(CN6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O
InChIInChI=1S/C37H35N7O7/c1-15-12-39-28-23(45)10-24-37(25(15)28)11-16(37)13-42(24)14-17-8-20-18-4-6-43(29(18)31(46)33(50-2)26(20)40-17)35(48)22-9-21-19-5-7-44(36(38)49)30(19)32(47)34(51-3)27(21)41-22/h8-10,12,16,39-41,46-47H,4-7,11,13-14H2,1-3H3,(H2,38,49)
InChIKeyIQVSJUUHSHWYAR-UHFFFAOYSA-N
MW689.73 g/mol
LogP4.21
Rot. Bonds5

About 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 156530335) has the molecular formula C37H35N7O7 and a molecular weight of 689.73 g/mol. Its IUPAC name is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 CID156530335
Molecular FormulaC37H35N7O7
Molecular Weight689.73 g/mol
Exact Mass689.26
IUPAC Name5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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(CN6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O
InChIInChI=1S/C37H35N7O7/c1-15-12-39-28-23(45)10-24-37(25(15)28)11-16(37)13-42(24)14-17-8-20-18-4-6-43(29(18)31(46)33(50-2)26(20)40-17)35(48)22-9-21-19-5-7-44(36(38)49)30(19)32(47)34(51-3)27(21)41-22/h8-10,12,16,39-41,46-47H,4-7,11,13-14H2,1-3H3,(H2,38,49)
InChIKeyIQVSJUUHSHWYAR-UHFFFAOYSA-N
XLogP4.21
TPSA193.24 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.73
LogP ≤ 54.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 156530335) is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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(CN6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O.
What is the InChIKey of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 IQVSJUUHSHWYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7O7/c1-15-12-39-28-23(45)10-24-37(25(15)28)11-16(37)13-42(24)14-17-8-20-18-4-6-43(29(18)31(46)33(50-2)26(20)40-17)35(48)22-9-21-19-5-7-44(36(38)49)30(19)32(47)34(51-3)27(21)41-22/h8-10,12,16,39-41,46-47H,4-7,11,13-14H2,1-3H3,(H2,38,49).
What are the key properties of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 689.73 g/mol, XLogP of 4.21, 5 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-[(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl)methyl]-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 156530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).