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

C22H28N8O — CID 121390940

IUPAC(2R)-2-[[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(C[C@H]4CNCCO4)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/t19-/m1/s1
InChIKeySMROVSFEANQWIQ-LJQANCHMSA-N
MW420.52 g/mol
LogP2.81
Rot. Bonds7

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

(2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (PubChem CID 121390940) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine
PubChem CID121390940
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name(2R)-2-[[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(C[C@H]4CNCCO4)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/t19-/m1/s1
InChIKeySMROVSFEANQWIQ-LJQANCHMSA-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

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

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Related Compounds

CID 46888631
CID 46888631
CID 67469574
CID 67469574
CID 67470405
CID 67470405
CID 130339280
CID 130339280
CID 71254249
CID 71254249
CID 146345358
CID 146345358
CID 146345415
CID 146345415
CID 137633948
CID 137633948
CID 137652574
CID 137652574
CID 137652663
CID 137652663
CID 137653247
CID 137653247
CID 162664855
CID 162664855

Frequently Asked Questions

What is the IUPAC name of (2R)-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 (2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (CID 121390940) is (2R)-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 (2R)-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 (2R)-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(C[C@H]4CNCCO4)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-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-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
(2R)-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 (2R)-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 121390940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).