1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C24H18FN5O2 — CID 22291674

IUPAC1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3ccncc3)cc1-2
InChIInChI=1S/C24H18FN5O2/c25-16-3-6-18(7-4-16)30-22-19(21(29-30)23(26)31)8-2-14-1-5-17(13-20(14)22)28-24(32)15-9-11-27-12-10-15/h1,3-7,9-13H,2,8H2,(H2,26,31)(H,28,32)
InChIKeyXSMKHRGMWVNOCS-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291674) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291674
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3ccncc3)cc1-2
InChIInChI=1S/C24H18FN5O2/c25-16-3-6-18(7-4-16)30-22-19(21(29-30)23(26)31)8-2-14-1-5-17(13-20(14)22)28-24(32)15-9-11-27-12-10-15/h1,3-7,9-13H,2,8H2,(H2,26,31)(H,28,32)
InChIKeyXSMKHRGMWVNOCS-UHFFFAOYSA-N
XLogP3.52
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291674) is 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3ccncc3)cc1-2.
What is the InChIKey of 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is XSMKHRGMWVNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-16-3-6-18(7-4-16)30-22-19(21(29-30)23(26)31)8-2-14-1-5-17(13-20(14)22)28-24(32)15-9-11-27-12-10-15/h1,3-7,9-13H,2,8H2,(H2,26,31)(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).