3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate

C62H62N16O15 — CID 172971829

IUPAC3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate
SMILESCON1C(=O)/C(=N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/N=C6\C(=O)N(C)c7ncccc76)c5c4O)c(O)c23)c2cccnc21.CON1C(=O)C(=O)c2cccnc21.NN.O.[H]/N=N/c1c(O)n(OC)c2ncccc12
InChIInChI=1S/C46H42N8O9.C8H8N4O2.C8H6N2O3.H4N2.H2O/c1-19(2)29-25-15-21(5)31(39(57)33(25)27(37(55)41(29)59)17-49-51-35-23-11-9-13-47-43(23)53(7)45(35)61)32-22(6)16-26-30(20(3)4)42(60)38(56)28(34(26)40(32)58)18-50-52-36-24-12-10-14-48-44(24)54(63-8)46(36)62;1-14-12-7-5(3-2-4-10-7)6(11-9)8(12)13;1-13-10-7-5(3-2-4-9-7)6(11)8(10)12;1-2;/h9-20,55-60H,1-8H3;2-4,9,13H,1H3;2-4H,1H3;1-2H2;1H2/b49-17+,50-18+,51-35-,52-36+;11-9+;;;
InChIKeyRCYVRGCCALXMLW-USFYANRLSA-N
MW1271.27 g/mol
LogP6.71
Rot. Bonds11

About 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate

3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate (PubChem CID 172971829) has the molecular formula C62H62N16O15 and a molecular weight of 1271.27 g/mol. Its IUPAC name is 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate.

Molecular Properties

Compound Name3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate
PubChem CID172971829
Molecular FormulaC62H62N16O15
Molecular Weight1271.27 g/mol
Exact Mass1270.46
IUPAC Name3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate
SMILESCON1C(=O)/C(=N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/N=C6\C(=O)N(C)c7ncccc76)c5c4O)c(O)c23)c2cccnc21.CON1C(=O)C(=O)c2cccnc21.NN.O.[H]/N=N/c1c(O)n(OC)c2ncccc12
InChIInChI=1S/C46H42N8O9.C8H8N4O2.C8H6N2O3.H4N2.H2O/c1-19(2)29-25-15-21(5)31(39(57)33(25)27(37(55)41(29)59)17-49-51-35-23-11-9-13-47-43(23)53(7)45(35)61)32-22(6)16-26-30(20(3)4)42(60)38(56)28(34(26)40(32)58)18-50-52-36-24-12-10-14-48-44(24)54(63-8)46(36)62;1-14-12-7-5(3-2-4-10-7)6(11-9)8(12)13;1-13-10-7-5(3-2-4-9-7)6(11)8(10)12;1-2;/h9-20,55-60H,1-8H3;2-4,9,13H,1H3;2-4H,1H3;1-2H2;1H2/b49-17+,50-18+,51-35-,52-36+;11-9+;;;
InChIKeyRCYVRGCCALXMLW-USFYANRLSA-N
XLogP6.71
TPSA472.98 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001271.27
LogP ≤ 56.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate?
The IUPAC name of 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate (CID 172971829) is 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate.
What is the SMILES notation for 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate?
The canonical SMILES for 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate is CON1C(=O)/C(=N/N=C/c2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(/C=N/N=C6\C(=O)N(C)c7ncccc76)c5c4O)c(O)c23)c2cccnc21.CON1C(=O)C(=O)c2cccnc21.NN.O.[H]/N=N/c1c(O)n(OC)c2ncccc12.
What is the InChIKey of 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate?
The InChIKey is RCYVRGCCALXMLW-USFYANRLSA-N. The full InChI is InChI=1S/C46H42N8O9.C8H8N4O2.C8H6N2O3.H4N2.H2O/c1-19(2)29-25-15-21(5)31(39(57)33(25)27(37(55)41(29)59)17-49-51-35-23-11-9-13-47-43(23)53(7)45(35)61)32-22(6)16-26-30(20(3)4)42(60)38(56)28(34(26)40(32)58)18-50-52-36-24-12-10-14-48-44(24)54(63-8)46(36)62;1-14-12-7-5(3-2-4-10-7)6(11-9)8(12)13;1-13-10-7-5(3-2-4-9-7)6(11)8(10)12;1-2;/h9-20,55-60H,1-8H3;2-4,9,13H,1H3;2-4H,1H3;1-2H2;1H2/b49-17+,50-18+,51-35-,52-36+;11-9+;;;.
What are the key properties of 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate?
3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate has a molecular weight of 1271.27 g/mol, XLogP of 6.71, 11 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-1-methoxypyrrolo[2,3-b]pyridin-2-ol;hydrazine;1-methoxypyrrolo[2,3-b]pyridine-2,3-dione;(3Z)-1-methyl-3-[(E)-[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(E)-[(E)-(1-methoxy-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]methyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidenehydrazinylidene]pyrrolo[2,3-b]pyridin-2-one;hydrate is sourced from PubChem (CID 172971829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).