[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C32H26N16O3 — CID 58090591

IUPAC[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCC1=NCc2c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CN=C5C)cnn3-c3ccccn3)c(C)nn21
InChIInChI=1S/C32H26N16O3/c1-17-27(23-15-35-19(3)45(23)43-17)39-41-29-21(13-37-47(29)25-9-5-7-11-33-25)31(49)51-32(50)22-14-38-48(26-10-6-8-12-34-26)30(22)42-40-28-18(2)44-46-20(4)36-16-24(28)46/h5-14H,15-16H2,1-4H3/b41-39+,42-40+
InChIKeyGDDFSFPLFHPMNM-LMXNTIJMSA-N
MW682.67 g/mol
LogP5.25
Rot. Bonds8

About [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate

[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 58090591) has the molecular formula C32H26N16O3 and a molecular weight of 682.67 g/mol. Its IUPAC name is [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID58090591
Molecular FormulaC32H26N16O3
Molecular Weight682.67 g/mol
Exact Mass682.24
IUPAC Name[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCC1=NCc2c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CN=C5C)cnn3-c3ccccn3)c(C)nn21
InChIInChI=1S/C32H26N16O3/c1-17-27(23-15-35-19(3)45(23)43-17)39-41-29-21(13-37-47(29)25-9-5-7-11-33-25)31(49)51-32(50)22-14-38-48(26-10-6-8-12-34-26)30(22)42-40-28-18(2)44-46-20(4)36-16-24(28)46/h5-14H,15-16H2,1-4H3/b41-39+,42-40+
InChIKeyGDDFSFPLFHPMNM-LMXNTIJMSA-N
XLogP5.25
TPSA214.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500682.67
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 58090591) is [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate is CC1=NCc2c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CN=C5C)cnn3-c3ccccn3)c(C)nn21.
What is the InChIKey of [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is GDDFSFPLFHPMNM-LMXNTIJMSA-N. The full InChI is InChI=1S/C32H26N16O3/c1-17-27(23-15-35-19(3)45(23)43-17)39-41-29-21(13-37-47(29)25-9-5-7-11-33-25)31(49)51-32(50)22-14-38-48(26-10-6-8-12-34-26)30(22)42-40-28-18(2)44-46-20(4)36-16-24(28)46/h5-14H,15-16H2,1-4H3/b41-39+,42-40+.
What are the key properties of [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 682.67 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 58090591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).