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HQRGIHLYFKAODF-UHFFFAOYSA-N

C24H15F3N6O2 — CID 118381421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(5-phenoxy-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C24H15F3N6O2/c25-24(26,27)23-29-11-16(12-30-23)31-22(34)21-19-9-14(6-7-20(19)32-33-21)15-8-18(13-28-10-15)35-17-4-2-1-3-5-17/h1-13H,(H,31,34)(H,32,33)
InChIKeyHQRGIHLYFKAODF-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.48
Rot. Bonds5

About HQRGIHLYFKAODF-UHFFFAOYSA-N

HQRGIHLYFKAODF-UHFFFAOYSA-N (PubChem CID 118381421) has the molecular formula C24H15F3N6O2 and a molecular weight of 476.42 g/mol. Its IUPAC name is 5-(5-phenoxy-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameHQRGIHLYFKAODF-UHFFFAOYSA-N
PubChem CID118381421
Molecular FormulaC24H15F3N6O2
Molecular Weight476.42 g/mol
Exact Mass476.12
IUPAC Name5-(5-phenoxy-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C24H15F3N6O2/c25-24(26,27)23-29-11-16(12-30-23)31-22(34)21-19-9-14(6-7-20(19)32-33-21)15-8-18(13-28-10-15)35-17-4-2-1-3-5-17/h1-13H,(H,31,34)(H,32,33)
InChIKeyHQRGIHLYFKAODF-UHFFFAOYSA-N
XLogP5.48
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of HQRGIHLYFKAODF-UHFFFAOYSA-N?
The IUPAC name of HQRGIHLYFKAODF-UHFFFAOYSA-N (CID 118381421) is 5-(5-phenoxy-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for HQRGIHLYFKAODF-UHFFFAOYSA-N?
The canonical SMILES for HQRGIHLYFKAODF-UHFFFAOYSA-N is O=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of HQRGIHLYFKAODF-UHFFFAOYSA-N?
The InChIKey is HQRGIHLYFKAODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O2/c25-24(26,27)23-29-11-16(12-30-23)31-22(34)21-19-9-14(6-7-20(19)32-33-21)15-8-18(13-28-10-15)35-17-4-2-1-3-5-17/h1-13H,(H,31,34)(H,32,33).
What are the key properties of HQRGIHLYFKAODF-UHFFFAOYSA-N?
HQRGIHLYFKAODF-UHFFFAOYSA-N has a molecular weight of 476.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for HQRGIHLYFKAODF-UHFFFAOYSA-N is sourced from PubChem (CID 118381421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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