4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H15F4N5O2 — CID 67455754

IUPAC4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2cccc(C(F)(F)F)c2F)NC(=O)N1
InChIInChI=1S/C20H15F4N5O2/c1-9-15(18(30)27-11-5-6-14-10(7-11)8-25-29-14)17(28-19(31)26-9)12-3-2-4-13(16(12)21)20(22,23)24/h2-8,17H,1H3,(H,25,29)(H,27,30)(H2,26,28,31)
InChIKeyXRPNNDBVIIZFSG-UHFFFAOYSA-N
MW433.37 g/mol
LogP3.99
Rot. Bonds3

About 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 67455754) has the molecular formula C20H15F4N5O2 and a molecular weight of 433.37 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID67455754
Molecular FormulaC20H15F4N5O2
Molecular Weight433.37 g/mol
Exact Mass433.12
IUPAC Name4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2cccc(C(F)(F)F)c2F)NC(=O)N1
InChIInChI=1S/C20H15F4N5O2/c1-9-15(18(30)27-11-5-6-14-10(7-11)8-25-29-14)17(28-19(31)26-9)12-3-2-4-13(16(12)21)20(22,23)24/h2-8,17H,1H3,(H,25,29)(H,27,30)(H2,26,28,31)
InChIKeyXRPNNDBVIIZFSG-UHFFFAOYSA-N
XLogP3.99
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 67455754) is 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2cccc(C(F)(F)F)c2F)NC(=O)N1.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XRPNNDBVIIZFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O2/c1-9-15(18(30)27-11-5-6-14-10(7-11)8-25-29-14)17(28-19(31)26-9)12-3-2-4-13(16(12)21)20(22,23)24/h2-8,17H,1H3,(H,25,29)(H,27,30)(H2,26,28,31).
What are the key properties of 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 433.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 67455754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).