4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one

C17H11FN4O — CID 24759475

IUPAC4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C17H11FN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyWPPKBEXXQOAWEH-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.12
Rot. Bonds2

About 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one

4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 24759475) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
PubChem CID24759475
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C17H11FN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyWPPKBEXXQOAWEH-UHFFFAOYSA-N
XLogP3.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-(trifluoromethyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749353
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one (CID 24759475) is 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one is O=c1nc(-c2cccc(F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is WPPKBEXXQOAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23).
What are the key properties of 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 306.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).