[(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C24H29BrFN7O2 — CID 169143083

About [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143083) has the molecular formula C24H29BrFN7O2 and a molecular weight of 546.45 g/mol. Its IUPAC name is [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169143083
• Molecular Formula: C24H29BrFN7O2
• Molecular Weight: 546.45 g/mol
• Exact Mass: 545.16
• IUPAC Name: [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: CC(C)(C)n1nc([C@H]2C[C@@H](F)[C@@H](OC(=O)NC34CC(C3)C4)C2)cc1Nc1ncc(Br)c2nccn12
• InChI: InChI=1S/C24H29BrFN7O2/c1-23(2,3)33-19(29-21-28-12-15(25)20-27-4-5-32(20)21)8-17(31-33)14-6-16(26)18(7-14)35-22(34)30-24-9-13(10-24)11-24/h4-5,8,12-14,16,18H,6-7,9-11H2,1-3H3,(H,28,29)(H,30,34)/t13?,14-,16+,18-,24?/m0/s1
• InChIKey: HMAOSMSZEUNVTK-TWVJXZTQSA-N
• XLogP: 5.05
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.45
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143083) is [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is CC(C)(C)n1nc([C@H]2C[C@@H](F)[C@@H](OC(=O)NC34CC(C3)C4)C2)cc1Nc1ncc(Br)c2nccn12.

What is the InChIKey of [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is HMAOSMSZEUNVTK-TWVJXZTQSA-N. The full InChI is InChI=1S/C24H29BrFN7O2/c1-23(2,3)33-19(29-21-28-12-15(25)20-27-4-5-32(20)21)8-17(31-33)14-6-16(26)18(7-14)35-22(34)30-24-9-13(10-24)11-24/h4-5,8,12-14,16,18H,6-7,9-11H2,1-3H3,(H,28,29)(H,30,34)/t13?,14-,16+,18-,24?/m0/s1.

What are the key properties of [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 546.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,4R)-4-[5-[(8-bromoimidazo[1,2-c]pyrimidin-5-yl)amino]-1-tert-butylpyrazol-3-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169143083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).