3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole

C17H11FN4 — CID 90732532

IUPAC3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ccncn4)cc23)cc1
InChIInChI=1S/C17H11FN4/c18-13-4-1-11(2-5-13)17-14-9-12(3-6-16(14)21-22-17)15-7-8-19-10-20-15/h1-10H,(H,21,22)
InChIKeyYNNSBPVSEQERKY-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.83
Rot. Bonds2

About 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole

3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole (PubChem CID 90732532) has the molecular formula C17H11FN4 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
PubChem CID90732532
Molecular FormulaC17H11FN4
Molecular Weight290.30 g/mol
Exact Mass290.10
IUPAC Name3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4ccncn4)cc23)cc1
InChIInChI=1S/C17H11FN4/c18-13-4-1-11(2-5-13)17-14-9-12(3-6-16(14)21-22-17)15-7-8-19-10-20-15/h1-10H,(H,21,22)
InChIKeyYNNSBPVSEQERKY-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
CID 71190825
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
CID 142957970
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 20789046
2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-pyridin-4-ylacetamide
CID 69422545
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine
CID 4126107
3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
CID 69003526
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147
5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
CID 21092522
3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 21092504

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole (CID 90732532) is 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4ccncn4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole?
The InChIKey is YNNSBPVSEQERKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4/c18-13-4-1-11(2-5-13)17-14-9-12(3-6-16(14)21-22-17)15-7-8-19-10-20-15/h1-10H,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole?
3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole has a molecular weight of 290.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole is sourced from PubChem (CID 90732532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).