1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide

C18H19FN4O2 — CID 90379413

IUPAC1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(F)c1
InChIInChI=1S/C18H19FN4O2/c19-15-8-10(17(20)24)1-5-14(15)18(25)23(12-2-3-12)13-4-6-16-11(7-13)9-21-22-16/h1,5,8-9,12-13H,2-4,6-7H2,(H2,20,24)(H,21,22)
InChIKeyORNJLXMFCAXZGN-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.81
Rot. Bonds4

About 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide

1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide (PubChem CID 90379413) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide
PubChem CID90379413
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(F)c1
InChIInChI=1S/C18H19FN4O2/c19-15-8-10(17(20)24)1-5-14(15)18(25)23(12-2-3-12)13-4-6-16-11(7-13)9-21-22-16/h1,5,8-9,12-13H,2-4,6-7H2,(H2,20,24)(H,21,22)
InChIKeyORNJLXMFCAXZGN-UHFFFAOYSA-N
XLogP1.81
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide (CID 90379413) is 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(F)c1.
What is the InChIKey of 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide?
The InChIKey is ORNJLXMFCAXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-15-8-10(17(20)24)1-5-14(15)18(25)23(12-2-3-12)13-4-6-16-11(7-13)9-21-22-16/h1,5,8-9,12-13H,2-4,6-7H2,(H2,20,24)(H,21,22).
What are the key properties of 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide?
1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide has a molecular weight of 342.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 90379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).