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

C71H93N23O4 — CID 158859963

IUPAC4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN4CCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H32N8O.C23H29N7O2/c2*1-3-20(4-2)31-14-19(12-27-31)24-23-7-8-25-32(23)17-22(28-24)18-11-26-30(13-18)16-21(33)15-29-9-5-6-10-29;1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h2*7-8,11-14,17,20-21,33H,3-6,9-10,15-16H2,1-2H3;5,8,11-15,19,31H,3-4,6-7,9-10,16H2,1-2H3/t2*21-;/m10./s1
InChIKeyJANMEQPDHTWVBN-ZACMMHJFSA-N
MW1332.68 g/mol
LogP9.91
Rot. Bonds25

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

4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 158859963) has the molecular formula C71H93N23O4 and a molecular weight of 1332.68 g/mol. Its IUPAC name is 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID158859963
Molecular FormulaC71H93N23O4
Molecular Weight1332.68 g/mol
Exact Mass1331.78
IUPAC Name4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN4CCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/2C24H32N8O.C23H29N7O2/c2*1-3-20(4-2)31-14-19(12-27-31)24-23-7-8-25-32(23)17-22(28-24)18-11-26-30(13-18)16-21(33)15-29-9-5-6-10-29;1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h2*7-8,11-14,17,20-21,33H,3-6,9-10,15-16H2,1-2H3;5,8,11-15,19,31H,3-4,6-7,9-10,16H2,1-2H3/t2*21-;/m10./s1
InChIKeyJANMEQPDHTWVBN-ZACMMHJFSA-N
XLogP9.91
TPSA273.89 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.68
LogP ≤ 59.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10189845, Example 63
CID 121378295
US10189845, Example 82
CID 121378438
US10189845, Example 99
CID 121378441
US10189845, Example 200A
CID 121378444
US10189845, Example 137
CID 121390916
US10189845, Example 136
CID 121390918
US10189845, Example 115
CID 121390935
US10189845, Example 116
CID 121390936
US10189845, Example 188
CID 121390937
US10189845, Example 160B
CID 121390938
US10189845, Example 158B
CID 121390942
US10189845, Example 159A
CID 121390943

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 158859963) is 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN4CCCC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN4CCCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is JANMEQPDHTWVBN-ZACMMHJFSA-N. The full InChI is InChI=1S/2C24H32N8O.C23H29N7O2/c2*1-3-20(4-2)31-14-19(12-27-31)24-23-7-8-25-32(23)17-22(28-24)18-11-26-30(13-18)16-21(33)15-29-9-5-6-10-29;1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h2*7-8,11-14,17,20-21,33H,3-6,9-10,15-16H2,1-2H3;5,8,11-15,19,31H,3-4,6-7,9-10,16H2,1-2H3/t2*21-;/m10./s1.
What are the key properties of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 1332.68 g/mol, XLogP of 9.91, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol;(2R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 158859963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).