2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide

C18H15F2N5O2 — CID 46191765

IUPAC2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)c(F)c3)nc12
InChIInChI=1S/C18H15F2N5O2/c19-11-3-9-8-25(24-16(9)13(4-11)17(21)26)12-1-2-15(14(20)5-12)23-18(27)10-6-22-7-10/h1-5,8,10,22H,6-7H2,(H2,21,26)(H,23,27)
InChIKeyYXENENUCTAXERH-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide

2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide (PubChem CID 46191765) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide
PubChem CID46191765
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)c(F)c3)nc12
InChIInChI=1S/C18H15F2N5O2/c19-11-3-9-8-25(24-16(9)13(4-11)17(21)26)12-1-2-15(14(20)5-12)23-18(27)10-6-22-7-10/h1-5,8,10,22H,6-7H2,(H2,21,26)(H,23,27)
InChIKeyYXENENUCTAXERH-UHFFFAOYSA-N
XLogP1.56
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide?
The IUPAC name of 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide (CID 46191765) is 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)c(F)c3)nc12.
What is the InChIKey of 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide?
The InChIKey is YXENENUCTAXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c19-11-3-9-8-25(24-16(9)13(4-11)17(21)26)12-1-2-15(14(20)5-12)23-18(27)10-6-22-7-10/h1-5,8,10,22H,6-7H2,(H2,21,26)(H,23,27).
What are the key properties of 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide?
2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidine-3-carbonylamino)-3-fluorophenyl]-5-fluoroindazole-7-carboxamide is sourced from PubChem (CID 46191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).