N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide

C20H15FN6O3 — CID 70716178

IUPACN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)c1ccn[nH]1
InChIInChI=1S/C20H15FN6O3/c21-12-4-6-13(7-5-12)27-16-3-1-2-15(26-10-11-30-20(26)29)17(16)18(25-27)23-19(28)14-8-9-22-24-14/h1-9H,10-11H2,(H,22,24)(H,23,25,28)
InChIKeyBORRPXQEWIGFBE-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide

N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 70716178) has the molecular formula C20H15FN6O3 and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID70716178
Molecular FormulaC20H15FN6O3
Molecular Weight406.38 g/mol
Exact Mass406.12
IUPAC NameN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)c1ccn[nH]1
InChIInChI=1S/C20H15FN6O3/c21-12-4-6-13(7-5-12)27-16-3-1-2-15(26-10-11-30-20(26)29)17(16)18(25-27)23-19(28)14-8-9-22-24-14/h1-9H,10-11H2,(H,22,24)(H,23,25,28)
InChIKeyBORRPXQEWIGFBE-UHFFFAOYSA-N
XLogP3.10
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide (CID 70716178) is N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)c1ccn[nH]1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BORRPXQEWIGFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O3/c21-12-4-6-13(7-5-12)27-16-3-1-2-15(26-10-11-30-20(26)29)17(16)18(25-27)23-19(28)14-8-9-22-24-14/h1-9H,10-11H2,(H,22,24)(H,23,25,28).
What are the key properties of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide?
N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 406.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70716178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).