2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine

C22H28N8O — CID 121391022

IUPAC2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CNCCO4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-18(4-2)29-13-17(10-26-29)22-21-5-6-24-30(21)15-20(27-22)16-9-25-28(12-16)14-19-11-23-7-8-31-19/h5-6,9-10,12-13,15,18-19,23H,3-4,7-8,11,14H2,1-2H3
InChIKeySMROVSFEANQWIQ-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.81
Rot. Bonds7

About 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine

2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (PubChem CID 121391022) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine
PubChem CID121391022
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CNCCO4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-18(4-2)29-13-17(10-26-29)22-21-5-6-24-30(21)15-20(27-22)16-9-25-28(12-16)14-19-11-23-7-8-31-19/h5-6,9-10,12-13,15,18-19,23H,3-4,7-8,11,14H2,1-2H3
InChIKeySMROVSFEANQWIQ-UHFFFAOYSA-N
XLogP2.81
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (CID 121391022) is 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine is CCC(CC)n1cc(-c2nc(-c3cnn(CC4CNCCO4)c3)cn3nccc23)cn1.
What is the InChIKey of 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The InChIKey is SMROVSFEANQWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-3-18(4-2)29-13-17(10-26-29)22-21-5-6-24-30(21)15-20(27-22)16-9-25-28(12-16)14-19-11-23-7-8-31-19/h5-6,9-10,12-13,15,18-19,23H,3-4,7-8,11,14H2,1-2H3.
What are the key properties of 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine has a molecular weight of 420.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine is sourced from PubChem (CID 121391022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).