2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole

C16H18N4O2S — CID 169234779

IUPAC2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole
SMILESCC(C)c1c2cc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C
InChIInChI=1S/C16H18N4O2S/c1-10(2)15-12-9-11(5-6-14(12)19-20(15)3)13-7-8-17-16(18-13)23(4,21)22/h5-10H,1-4H3
InChIKeyUNKXFONWIHQTCS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole

2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole (PubChem CID 169234779) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole
PubChem CID169234779
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole
SMILESCC(C)c1c2cc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C
InChIInChI=1S/C16H18N4O2S/c1-10(2)15-12-9-11(5-6-14(12)19-20(15)3)13-7-8-17-16(18-13)23(4,21)22/h5-10H,1-4H3
InChIKeyUNKXFONWIHQTCS-UHFFFAOYSA-N
XLogP2.56
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole?
The IUPAC name of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole (CID 169234779) is 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole.
What is the SMILES notation for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole?
The canonical SMILES for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole is CC(C)c1c2cc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C.
What is the InChIKey of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole?
The InChIKey is UNKXFONWIHQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)15-12-9-11(5-6-14(12)19-20(15)3)13-7-8-17-16(18-13)23(4,21)22/h5-10H,1-4H3.
What are the key properties of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole?
2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole has a molecular weight of 330.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole is sourced from PubChem (CID 169234779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).