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

C66H84N24O — CID 157405209

IUPAC4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H]4CCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4COCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O.2C22H28N8/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18;1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19;1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3;7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3;7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-;19-;18-/m010/s1
InChIKeyBNQGHUFHSLESDX-DZXQPDRBSA-N
MW1229.56 g/mol
LogP10.12
Rot. Bonds20

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

4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 157405209) has the molecular formula C66H84N24O and a molecular weight of 1229.56 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID157405209
Molecular FormulaC66H84N24O
Molecular Weight1229.56 g/mol
Exact Mass1228.73
IUPAC Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H]4CCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4COCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O.2C22H28N8/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18;1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19;1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3;7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3;7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-;19-;18-/m010/s1
InChIKeyBNQGHUFHSLESDX-DZXQPDRBSA-N
XLogP10.12
TPSA242.81 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.56
LogP ≤ 510.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 157405209) is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H]4CCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4COCCN4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is BNQGHUFHSLESDX-DZXQPDRBSA-N. The full InChI is InChI=1S/C22H28N8O.2C22H28N8/c1-3-19(4-2)29-12-17(10-26-29)22-21-5-6-24-30(21)14-20(27-22)16-9-25-28(11-16)13-18-15-31-8-7-23-18;1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19;1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h5-6,9-12,14,18-19,23H,3-4,7-8,13,15H2,1-2H3;7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3;7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-;19-;18-/m010/s1.
What are the key properties of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 1229.56 g/mol, XLogP of 10.12, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine;(3S)-3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 157405209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).