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

C22H26N8O — CID 121390929

IUPAC(5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCC(=O)N4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-3-18(4-2)29-12-16(10-25-29)22-20-7-8-23-30(20)14-19(27-22)15-9-24-28(11-15)13-17-5-6-21(31)26-17/h7-12,14,17-18H,3-6,13H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyGKVKDWDOTDUVOW-QGZVFWFLSA-N
MW418.51 g/mol
LogP3.10
Rot. Bonds7

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

(5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 121390929) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID121390929
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name(5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCC(=O)N4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-3-18(4-2)29-12-16(10-25-29)22-20-7-8-23-30(20)14-19(27-22)15-9-24-28(11-15)13-17-5-6-21(31)26-17/h7-12,14,17-18H,3-6,13H2,1-2H3,(H,26,31)/t17-/m1/s1
InChIKeyGKVKDWDOTDUVOW-QGZVFWFLSA-N
XLogP3.10
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one (CID 121390929) is (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCC(=O)N4)c3)cn3nccc23)cn1.
What is the InChIKey of (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is GKVKDWDOTDUVOW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-18(4-2)29-12-16(10-25-29)22-20-7-8-23-30(20)14-19(27-22)15-9-24-28(11-15)13-17-5-6-21(31)26-17/h7-12,14,17-18H,3-6,13H2,1-2H3,(H,26,31)/t17-/m1/s1.
What are the key properties of (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one?
(5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 418.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 121390929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).