3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole

C20H17FN4 — CID 21334474

IUPAC3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole
SMILESCc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1C
InChIInChI=1S/C20H17FN4/c1-13-11-22-20(23-14(13)2)19-16-8-4-6-10-18(16)25(24-19)12-15-7-3-5-9-17(15)21/h3-11H,12H2,1-2H3
InChIKeyKTFYICFMMSVLND-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.30
Rot. Bonds3

About 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole

3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole (PubChem CID 21334474) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole.

Molecular Properties

Compound Name3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole
PubChem CID21334474
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole
SMILESCc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1C
InChIInChI=1S/C20H17FN4/c1-13-11-22-20(23-14(13)2)19-16-8-4-6-10-18(16)25(24-19)12-15-7-3-5-9-17(15)21/h3-11H,12H2,1-2H3
InChIKeyKTFYICFMMSVLND-UHFFFAOYSA-N
XLogP4.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole?
The IUPAC name of 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole (CID 21334474) is 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole.
What is the SMILES notation for 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole?
The canonical SMILES for 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole is Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1C.
What is the InChIKey of 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole?
The InChIKey is KTFYICFMMSVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-13-11-22-20(23-14(13)2)19-16-8-4-6-10-18(16)25(24-19)12-15-7-3-5-9-17(15)21/h3-11H,12H2,1-2H3.
What are the key properties of 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole?
3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole has a molecular weight of 332.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole is sourced from PubChem (CID 21334474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).