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

C48H62N18O2 — CID 159284022

IUPAC(3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@@H]4CCN(C)C4=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@H]4CCN(C)C4=O)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H31N9O/c2*1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h2*6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t2*20-/m10/s1
InChIKeyKZGWXWWAFLFAJU-ZCLATKBISA-N
MW923.15 g/mol
LogP5.28
Rot. Bonds18

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

(3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one (PubChem CID 159284022) has the molecular formula C48H62N18O2 and a molecular weight of 923.15 g/mol. Its IUPAC name is (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one
PubChem CID159284022
Molecular FormulaC48H62N18O2
Molecular Weight923.15 g/mol
Exact Mass922.53
IUPAC Name(3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@@H]4CCN(C)C4=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@H]4CCN(C)C4=O)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H31N9O/c2*1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h2*6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t2*20-/m10/s1
InChIKeyKZGWXWWAFLFAJU-ZCLATKBISA-N
XLogP5.28
TPSA196.34 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.15
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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

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Related Compounds

N-isopropyl-2-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl)-1H-pyrazol-1-yl)acetamide
CID 121378270
US10189845, Example 185
CID 121378273
US10189845, Example 25
CID 121378423
US10189845, Example 36
CID 121378463
US10189845, Example 8
CID 121378464
US10189845, Example 147
CID 121378566
US10189845, Example 42
CID 121390901
US10189845, Example 18
CID 121390929
US10189845, Example 6
CID 121390957
US10189845, Example 31
CID 121390962
US10189845, Example 39
CID 121390963
US10189845, Example 38
CID 121390965

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one (CID 159284022) is (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one is CCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@@H]4CCN(C)C4=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN[C@H]4CCN(C)C4=O)c3)cn3nccc23)cn1.
What is the InChIKey of (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one?
The InChIKey is KZGWXWWAFLFAJU-ZCLATKBISA-N. The full InChI is InChI=1S/2C24H31N9O/c2*1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h2*6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t2*20-/m10/s1.
What are the key properties of (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one?
(3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one has a molecular weight of 923.15 g/mol, XLogP of 5.28, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one;(3R)-1-methyl-3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 159284022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).