6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C71H94N24O2 — CID 157335942

IUPAC6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@@H](OC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H32N8O.C23H30N8/c2*1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3;1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h2*6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3;7-8,13-17,20H,3-6,9-12H2,1-2H3/t2*21-;/m10./s1
InChIKeyBFVLRJYHNVYPKX-ZACMMHJFSA-N
MW1315.70 g/mol
LogP10.99
Rot. Bonds26

About 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 157335942) has the molecular formula C71H94N24O2 and a molecular weight of 1315.70 g/mol. Its IUPAC name is 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID157335942
Molecular FormulaC71H94N24O2
Molecular Weight1315.70 g/mol
Exact Mass1314.80
IUPAC Name6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@@H](OC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H32N8O.C23H30N8/c2*1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3;1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h2*6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3;7-8,13-17,20H,3-6,9-12H2,1-2H3/t2*21-;/m10./s1
InChIKeyBFVLRJYHNVYPKX-ZACMMHJFSA-N
XLogP10.99
TPSA225.67 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.70
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

US10189845, Example 198A
CID 121378296
US10189845, Example 194A
CID 121378403
US11028093, Example 194
CID 121390939
US10189845, Example 210B
CID 121391017
US10189845, Example 193
CID 121391030
US11028093, Example 198
CID 121391031
US10189845, Example 209A
CID 121391116
US10730880, Example 209
CID 155883688
4-((6-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-1-methyl-4-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-1,4-dihydropyrazolo[3',4':4,5]pyrrolo[3,2-b]pyridin-3-yl)methyl)morpholine
CID 156311115
US10189845, Example 185
CID 121378273
US10189845, Example 63
CID 121378295
US10189845, Example 55
CID 121378298

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 157335942) is 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@@H](OC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is BFVLRJYHNVYPKX-ZACMMHJFSA-N. The full InChI is InChI=1S/2C24H32N8O.C23H30N8/c2*1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3;1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h2*6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3;7-8,13-17,20H,3-6,9-12H2,1-2H3/t2*21-;/m10./s1.
What are the key properties of 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 1315.70 g/mol, XLogP of 10.99, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 157335942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).