6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one

C18H13FN4O — CID 59028189

IUPAC6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one
SMILESCn1c(-c2ccccc2F)cc(-c2ccc3[nH]ncc3c2)nc1=O
InChIInChI=1S/C18H13FN4O/c1-23-17(13-4-2-3-5-14(13)19)9-16(21-18(23)24)11-6-7-15-12(8-11)10-20-22-15/h2-10H,1H3,(H,20,22)
InChIKeyNPEIUSPFWBGYIQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.13
Rot. Bonds2

About 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one

6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one (PubChem CID 59028189) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one
PubChem CID59028189
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one
SMILESCn1c(-c2ccccc2F)cc(-c2ccc3[nH]ncc3c2)nc1=O
InChIInChI=1S/C18H13FN4O/c1-23-17(13-4-2-3-5-14(13)19)9-16(21-18(23)24)11-6-7-15-12(8-11)10-20-22-15/h2-10H,1H3,(H,20,22)
InChIKeyNPEIUSPFWBGYIQ-UHFFFAOYSA-N
XLogP3.13
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one?
The IUPAC name of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one (CID 59028189) is 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one?
The canonical SMILES for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one is Cn1c(-c2ccccc2F)cc(-c2ccc3[nH]ncc3c2)nc1=O.
What is the InChIKey of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one?
The InChIKey is NPEIUSPFWBGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-23-17(13-4-2-3-5-14(13)19)9-16(21-18(23)24)11-6-7-15-12(8-11)10-20-22-15/h2-10H,1H3,(H,20,22).
What are the key properties of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one?
6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one has a molecular weight of 320.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 59028189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).