6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C19H15BrFN5O2 — CID 91575257

IUPAC6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccc(F)c(Br)c2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H15BrFN5O2/c1-9-16(18(27)24-12-3-5-15-11(6-12)8-22-26-15)17(25-19(28)23-9)10-2-4-14(21)13(20)7-10/h2-8,16-17H,1H3,(H,22,26)(H,24,27)(H,25,28)
InChIKeyWHZKNFZGBLCDCB-UHFFFAOYSA-N
MW444.26 g/mol
LogP3.94
Rot. Bonds3

About 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91575257) has the molecular formula C19H15BrFN5O2 and a molecular weight of 444.26 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID91575257
Molecular FormulaC19H15BrFN5O2
Molecular Weight444.26 g/mol
Exact Mass443.04
IUPAC Name6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccc(F)c(Br)c2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H15BrFN5O2/c1-9-16(18(27)24-12-3-5-15-11(6-12)8-22-26-15)17(25-19(28)23-9)10-2-4-14(21)13(20)7-10/h2-8,16-17H,1H3,(H,22,26)(H,24,27)(H,25,28)
InChIKeyWHZKNFZGBLCDCB-UHFFFAOYSA-N
XLogP3.94
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91575257) is 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc(F)c(Br)c2)C1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is WHZKNFZGBLCDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5O2/c1-9-16(18(27)24-12-3-5-15-11(6-12)8-22-26-15)17(25-19(28)23-9)10-2-4-14(21)13(20)7-10/h2-8,16-17H,1H3,(H,22,26)(H,24,27)(H,25,28).
What are the key properties of 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 444.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).