(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)

C53H69BrN24O3 — CID 158124549

About (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)

(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide) (PubChem CID 158124549) has the molecular formula C53H69BrN24O3 and a molecular weight of 1170.20 g/mol. Its IUPAC name is (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide).

Molecular Properties

• Compound Name: (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)
• PubChem CID: 158124549
• Molecular Formula: C53H69BrN24O3
• Molecular Weight: 1170.20 g/mol
• Exact Mass: 1168.52
• IUPAC Name: (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)
• SMILES: CC(C)NC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1
• InChI: InChI=1S/C19H25BrN8O.2C17H22N8O/c1-10(2)25-19(29)14-5-4-11(6-22-14)16-15(20)17(21)28-18(26-16)13(8-24-28)12-7-23-27(3)9-12;2*1-19-17(26)13-4-3-10(6-20-13)14-5-15(18)25-16(23-14)12(8-22-25)11-7-21-24(2)9-11/h7-11,14,22H,4-6,21H2,1-3H3,(H,25,29);2*5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)/t11-,14-;2*10-,13-/m000/s1
• InChIKey: FRZSKHLFLOYXOX-DMZPUESSSA-N
• XLogP: 2.42
• TPSA: 345.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1170.20
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)?

The IUPAC name of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide) (CID 158124549) is (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide).

What is the SMILES notation for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)?

The canonical SMILES for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide) is CC(C)NC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.

What is the InChIKey of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)?

The InChIKey is FRZSKHLFLOYXOX-DMZPUESSSA-N. The full InChI is InChI=1S/C19H25BrN8O.2C17H22N8O/c1-10(2)25-19(29)14-5-4-11(6-22-14)16-15(20)17(21)28-18(26-16)13(8-24-28)12-7-23-27(3)9-12;2*1-19-17(26)13-4-3-10(6-20-13)14-5-15(18)25-16(23-14)12(8-22-25)11-7-21-24(2)9-11/h7-11,14,22H,4-6,21H2,1-3H3,(H,25,29);2*5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)/t11-,14-;2*10-,13-/m000/s1.

What are the key properties of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide)?

(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide) has a molecular weight of 1170.20 g/mol, XLogP of 2.42, 10 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;bis((2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide) is sourced from PubChem (CID 158124549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).