2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate

C51H66N10O6 — CID 123658310

About 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate

2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate (PubChem CID 123658310) has the molecular formula C51H66N10O6 and a molecular weight of 915.15 g/mol. Its IUPAC name is 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate
• PubChem CID: 123658310
• Molecular Formula: C51H66N10O6
• Molecular Weight: 915.15 g/mol
• Exact Mass: 914.52
• IUPAC Name: 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate
• SMILES: Cc1cc2nc(CC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(N)CC3)n2n1.Cc1cc2nc(CC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2n1
• InChI: InChI=1S/C28H37N5O4.C23H29N5O2/c1-18-15-24-29-22(16-23(34)19-7-9-20(10-8-19)28(5,6)36)17-25(33(24)31-18)32-13-11-21(12-14-32)30-26(35)37-27(2,3)4;1-15-12-21-25-19(13-20(29)16-4-6-17(7-5-16)23(2,3)30)14-22(28(21)26-15)27-10-8-18(24)9-11-27/h7-10,15,17,21,36H,11-14,16H2,1-6H3,(H,30,35);4-7,12,14,18,30H,8-11,13,24H2,1-3H3
• InChIKey: AHBPRVTWTHVTHR-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 205.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.15
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate?

The IUPAC name of 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate (CID 123658310) is 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate.

What is the SMILES notation for 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate?

The canonical SMILES for 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate is Cc1cc2nc(CC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(N)CC3)n2n1.Cc1cc2nc(CC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2n1.

What is the InChIKey of 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate?

The InChIKey is AHBPRVTWTHVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4.C23H29N5O2/c1-18-15-24-29-22(16-23(34)19-7-9-20(10-8-19)28(5,6)36)17-25(33(24)31-18)32-13-11-21(12-14-32)30-26(35)37-27(2,3)4;1-15-12-21-25-19(13-20(29)16-4-6-17(7-5-16)23(2,3)30)14-22(28(21)26-15)27-10-8-18(24)9-11-27/h7-10,15,17,21,36H,11-14,16H2,1-6H3,(H,30,35);4-7,12,14,18,30H,8-11,13,24H2,1-3H3.

What are the key properties of 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate?

2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate has a molecular weight of 915.15 g/mol, XLogP of 6.80, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 123658310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).