2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol

C67H84N26O3 — CID 158113334

About 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol

2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol (PubChem CID 158113334) has the molecular formula C67H84N26O3 and a molecular weight of 1301.59 g/mol. Its IUPAC name is 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol
• PubChem CID: 158113334
• Molecular Formula: C67H84N26O3
• Molecular Weight: 1301.59 g/mol
• Exact Mass: 1300.72
• IUPAC Name: 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CCNC[C@H]4O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CNC)C4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C23H29N9O.C22H27N9O.C22H28N8O/c1-4-18(5-2)30-12-17(9-27-30)23-21-6-7-25-32(21)15-20(28-23)16-8-26-31(11-16)19-13-29(14-19)22(33)10-24-3;1-3-17(4-2)29-11-16(9-26-29)22-20-5-6-24-31(20)14-19(27-22)15-8-25-30(10-15)18-12-28(13-18)21(32)7-23;1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6-9,11-12,15,18-19,24H,4-5,10,13-14H2,1-3H3;5-6,8-11,14,17-18H,3-4,7,12-13,23H2,1-2H3;6,8-10,12-14,17,19,21,23,31H,3-5,7,11H2,1-2H3/t;;19?,21-/m..1/s1
• InChIKey: FQRWSAVZLHOTSQ-BCJTXLBKSA-N
• XLogP: 7.29
• TPSA: 308.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.59
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?

The IUPAC name of 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol (CID 158113334) is 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol.

What is the SMILES notation for 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?

The canonical SMILES for 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCNC[C@H]4O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CNC)C4)c3)cn3nccc23)cn1.

What is the InChIKey of 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?

The InChIKey is FQRWSAVZLHOTSQ-BCJTXLBKSA-N. The full InChI is InChI=1S/C23H29N9O.C22H27N9O.C22H28N8O/c1-4-18(5-2)30-12-17(9-27-30)23-21-6-7-25-32(21)15-20(28-23)16-8-26-31(11-16)19-13-29(14-19)22(33)10-24-3;1-3-17(4-2)29-11-16(9-26-29)22-20-5-6-24-31(20)14-19(27-22)15-8-25-30(10-15)18-12-28(13-18)21(32)7-23;1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6-9,11-12,15,18-19,24H,4-5,10,13-14H2,1-3H3;5-6,8-11,14,17-18H,3-4,7,12-13,23H2,1-2H3;6,8-10,12-14,17,19,21,23,31H,3-5,7,11H2,1-2H3/t;;19?,21-/m..1/s1.

What are the key properties of 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?

2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol has a molecular weight of 1301.59 g/mol, XLogP of 7.29, 21 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;2-(methylamino)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 158113334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).