3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole

C15H16N4O — CID 167172229

IUPAC3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole
SMILESCc1ccnc(-c2n[nH]c3ccc(OC(C)C)cc23)n1
InChIInChI=1S/C15H16N4O/c1-9(2)20-11-4-5-13-12(8-11)14(19-18-13)15-16-7-6-10(3)17-15/h4-9H,1-3H3,(H,18,19)
InChIKeyUQWRWRLJSKDRHO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.12
Rot. Bonds3

About 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole

3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole (PubChem CID 167172229) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole
PubChem CID167172229
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole
SMILESCc1ccnc(-c2n[nH]c3ccc(OC(C)C)cc23)n1
InChIInChI=1S/C15H16N4O/c1-9(2)20-11-4-5-13-12(8-11)14(19-18-13)15-16-7-6-10(3)17-15/h4-9H,1-3H3,(H,18,19)
InChIKeyUQWRWRLJSKDRHO-UHFFFAOYSA-N
XLogP3.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole?
The IUPAC name of 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole (CID 167172229) is 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole is Cc1ccnc(-c2n[nH]c3ccc(OC(C)C)cc23)n1.
What is the InChIKey of 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole?
The InChIKey is UQWRWRLJSKDRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(2)20-11-4-5-13-12(8-11)14(19-18-13)15-16-7-6-10(3)17-15/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole?
3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole has a molecular weight of 268.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 167172229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).