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

C16H20N6O — CID 163301646

IUPAC4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(O[C@H]3CCCNCC3)n2)cn1
InChIInChI=1S/C16H20N6O/c1-21-10-12(9-19-21)14-11-22-15(5-8-18-22)16(20-14)23-13-3-2-6-17-7-4-13/h5,8-11,13,17H,2-4,6-7H2,1H3/t13-/m0/s1
InChIKeyNISOXVSWYNDVHQ-ZDUSSCGKSA-N
MW312.38 g/mol
LogP1.65
Rot. Bonds3

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

4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 163301646) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID163301646
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(O[C@H]3CCCNCC3)n2)cn1
InChIInChI=1S/C16H20N6O/c1-21-10-12(9-19-21)14-11-22-15(5-8-18-22)16(20-14)23-13-3-2-6-17-7-4-13/h5,8-11,13,17H,2-4,6-7H2,1H3/t13-/m0/s1
InChIKeyNISOXVSWYNDVHQ-ZDUSSCGKSA-N
XLogP1.65
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 163301646) is 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3nccc3c(O[C@H]3CCCNCC3)n2)cn1.
What is the InChIKey of 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is NISOXVSWYNDVHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N6O/c1-21-10-12(9-19-21)14-11-22-15(5-8-18-22)16(20-14)23-13-3-2-6-17-7-4-13/h5,8-11,13,17H,2-4,6-7H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 312.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163301646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).