2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one

C19H16N6O3 — CID 167462433

IUPAC2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one
SMILESCn1cc2[nH]c(=O)n(-c3cnc(Oc4cccc5c4C4(CC4)CO5)nc3)c2n1
InChIInChI=1S/C19H16N6O3/c1-24-9-12-16(23-24)25(18(26)22-12)11-7-20-17(21-8-11)28-14-4-2-3-13-15(14)19(5-6-19)10-27-13/h2-4,7-9H,5-6,10H2,1H3,(H,22,26)
InChIKeyBXHVFPQSFNLASP-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one

2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one (PubChem CID 167462433) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one
PubChem CID167462433
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one
SMILESCn1cc2[nH]c(=O)n(-c3cnc(Oc4cccc5c4C4(CC4)CO5)nc3)c2n1
InChIInChI=1S/C19H16N6O3/c1-24-9-12-16(23-24)25(18(26)22-12)11-7-20-17(21-8-11)28-14-4-2-3-13-15(14)19(5-6-19)10-27-13/h2-4,7-9H,5-6,10H2,1H3,(H,22,26)
InChIKeyBXHVFPQSFNLASP-UHFFFAOYSA-N
XLogP2.06
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one?
The IUPAC name of 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one (CID 167462433) is 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one.
What is the SMILES notation for 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one?
The canonical SMILES for 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one is Cn1cc2[nH]c(=O)n(-c3cnc(Oc4cccc5c4C4(CC4)CO5)nc3)c2n1.
What is the InChIKey of 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one?
The InChIKey is BXHVFPQSFNLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-24-9-12-16(23-24)25(18(26)22-12)11-7-20-17(21-8-11)28-14-4-2-3-13-15(14)19(5-6-19)10-27-13/h2-4,7-9H,5-6,10H2,1H3,(H,22,26).
What are the key properties of 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one?
2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one has a molecular weight of 376.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrimidin-5-yl)-4H-imidazo[4,5-c]pyrazol-5-one is sourced from PubChem (CID 167462433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).