6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C20H22N6O2 — CID 162649337

IUPAC6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C20H22N6O2/c1-20(2,3)28-17-8-13(6-7-21-17)15-10-23-26-12-16(27-5)18(24-19(15)26)14-9-22-25(4)11-14/h6-12H,1-5H3
InChIKeyGYHQCQQLLQAFGA-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.38
Rot. Bonds4

About 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162649337) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID162649337
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C20H22N6O2/c1-20(2,3)28-17-8-13(6-7-21-17)15-10-23-26-12-16(27-5)18(24-19(15)26)14-9-22-25(4)11-14/h6-12H,1-5H3
InChIKeyGYHQCQQLLQAFGA-UHFFFAOYSA-N
XLogP3.38
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
Methyl substituted pyrazole, 28
CID 23648676
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-Tert-butyl-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11631938
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 162649337) is 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is COc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1.
What is the InChIKey of 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GYHQCQQLLQAFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2,3)28-17-8-13(6-7-21-17)15-10-23-26-12-16(27-5)18(24-19(15)26)14-9-22-25(4)11-14/h6-12H,1-5H3.
What are the key properties of 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 378.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162649337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).