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

C22H28N8O — CID 121391096

IUPAC(3S)-3-[[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]4COCCN4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3/t18-/m0/s1
InChIKeyRYBLPYLDSOXGLN-SFHVURJKSA-N
MW420.52 g/mol
LogP2.81
Rot. Bonds7

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

(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (PubChem CID 121391096) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine
PubChem CID121391096
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name(3S)-3-[[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]4COCCN4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3/t18-/m0/s1
InChIKeyRYBLPYLDSOXGLN-SFHVURJKSA-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 (3S)-3-[[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

1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N7-(4-methylpyridin-2-yl)-N5-(pyrrolidin-3-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888631
1-(2-ethoxyethyl)-3-ethyl-N-(5-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11596704
1-(2-ethoxyethyl)-3-ethyl-N-(3-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888559
US10144738, Example 15
CID 130339280
(R)-7-(5-(1-(2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)-4-(oxetan-3-ylamino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345358
7-(4-(((R)-1-cyanoethyl)amino)-5-(1-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345415
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethanol
CID 137640574
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethanol
CID 137642485
2-[1-(2-Hydroxyethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 162664855
3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine
CID 71253770
US9266891, III-52
CID 76070953
US10189845, Example 198A
CID 121378296

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The IUPAC name of (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine (CID 121391096) is (3S)-3-[[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 (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The canonical SMILES for (3S)-3-[[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]4COCCN4)c3)cn3nccc23)cn1.
What is the InChIKey of (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
The InChIKey is RYBLPYLDSOXGLN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N8O/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine?
(3S)-3-[[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 (3S)-3-[[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 121391096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).