1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide

C25H24FN5O3 — CID 39038738

IUPAC1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCCn3ccnc3)nn1-c1ccc(F)cc1)C2
InChIInChI=1S/C25H24FN5O3/c1-33-21-13-16-12-20-23(25(32)28-8-3-10-30-11-9-27-15-30)29-31(18-6-4-17(26)5-7-18)24(20)19(16)14-22(21)34-2/h4-7,9,11,13-15H,3,8,10,12H2,1-2H3,(H,28,32)
InChIKeyDONJULWLPOMDLG-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.62
Rot. Bonds8

About 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39038738) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39038738
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCCn3ccnc3)nn1-c1ccc(F)cc1)C2
InChIInChI=1S/C25H24FN5O3/c1-33-21-13-16-12-20-23(25(32)28-8-3-10-30-11-9-27-15-30)29-31(18-6-4-17(26)5-7-18)24(20)19(16)14-22(21)34-2/h4-7,9,11,13-15H,3,8,10,12H2,1-2H3,(H,28,32)
InChIKeyDONJULWLPOMDLG-UHFFFAOYSA-N
XLogP3.62
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39038738) is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCn3ccnc3)nn1-c1ccc(F)cc1)C2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is DONJULWLPOMDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-33-21-13-16-12-20-23(25(32)28-8-3-10-30-11-9-27-15-30)29-31(18-6-4-17(26)5-7-18)24(20)19(16)14-22(21)34-2/h4-7,9,11,13-15H,3,8,10,12H2,1-2H3,(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).