4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C17H22N6O — CID 167070861

IUPAC4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1cnn2cc(-c3cnn(C)c3)nc(O[C@@H]3CCCNCC3)c12
InChIInChI=1S/C17H22N6O/c1-12-8-20-23-11-15(13-9-19-22(2)10-13)21-17(16(12)23)24-14-4-3-6-18-7-5-14/h8-11,14,18H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyRYNMUEGLQGKPDF-CQSZACIVSA-N
MW326.40 g/mol
LogP1.96
Rot. Bonds3

About 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 167070861) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID167070861
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1cnn2cc(-c3cnn(C)c3)nc(O[C@@H]3CCCNCC3)c12
InChIInChI=1S/C17H22N6O/c1-12-8-20-23-11-15(13-9-19-22(2)10-13)21-17(16(12)23)24-14-4-3-6-18-7-5-14/h8-11,14,18H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyRYNMUEGLQGKPDF-CQSZACIVSA-N
XLogP1.96
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 167070861) is 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cc1cnn2cc(-c3cnn(C)c3)nc(O[C@@H]3CCCNCC3)c12.
What is the InChIKey of 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is RYNMUEGLQGKPDF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-8-20-23-11-15(13-9-19-22(2)10-13)21-17(16(12)23)24-14-4-3-6-18-7-5-14/h8-11,14,18H,3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 326.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 167070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).