(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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Related Compounds

CID 71283628
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CID 72943816
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CID 132273348
CID 132273348
CID 138703842
CID 138703842
CID 145971850
CID 145971850
CID 145976020
CID 145976020
CID 86293882
CID 86293882
CID 121378270
CID 121378270
CID 121378367
CID 121378367
CID 121378391
CID 121378391
CID 121378420
CID 121378420

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).