5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

C37H35N7O8 — CID 54730499

IUPAC5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
SMILESCOC1=C(O)C2C(CCN2C(=O)c2cc3c4c(c(O)c(OC)c3[nH]2)N(C(N)=O)CC4)c2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]cc(C)c35)[nH]c21
InChIInChI=1S/C37H35N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15-16,28,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)/t15-,16?,28?,37+/m1/s1
InChIKeyVSDWRBDXCWXQLV-WWYQVGBBSA-N
MW705.73 g/mol
LogP3.67
Rot. Bonds4

About 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 54730499) has the molecular formula C37H35N7O8 and a molecular weight of 705.73 g/mol. Its IUPAC name is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
PubChem CID54730499
Molecular FormulaC37H35N7O8
Molecular Weight705.73 g/mol
Exact Mass705.25
IUPAC Name5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
SMILESCOC1=C(O)C2C(CCN2C(=O)c2cc3c4c(c(O)c(OC)c3[nH]2)N(C(N)=O)CC4)c2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]cc(C)c35)[nH]c21
InChIInChI=1S/C37H35N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15-16,28,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)/t15-,16?,28?,37+/m1/s1
InChIKeyVSDWRBDXCWXQLV-WWYQVGBBSA-N
XLogP3.67
TPSA210.31 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.73
LogP ≤ 53.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (CID 54730499) is 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide is COC1=C(O)C2C(CCN2C(=O)c2cc3c4c(c(O)c(OC)c3[nH]2)N(C(N)=O)CC4)c2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]cc(C)c35)[nH]c21.
What is the InChIKey of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?
The InChIKey is VSDWRBDXCWXQLV-WWYQVGBBSA-N. The full InChI is InChI=1S/C37H35N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15-16,28,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)/t15-,16?,28?,37+/m1/s1.
What are the key properties of 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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 705.73 g/mol, XLogP of 3.67, 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,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-5a,7,8,8a-tetrahydro-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 54730499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).