[(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C26H24ClF2N7O2 — CID 169142138

About [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142138) has the molecular formula C26H24ClF2N7O2 and a molecular weight of 539.97 g/mol. Its IUPAC name is [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142138
• Molecular Formula: C26H24ClF2N7O2
• Molecular Weight: 539.97 g/mol
• Exact Mass: 539.16
• IUPAC Name: [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@H]1C[C@@H](c2cc(Nc3nc(-c4ccc(F)c(Cl)c4)cc4nccn34)n[nH]2)C[C@H]1F
• InChI: InChI=1S/C26H24ClF2N7O2/c27-16-5-14(1-2-17(16)28)19-9-23-30-3-4-36(23)24(31-19)32-22-8-20(34-35-22)15-6-18(29)21(7-15)38-25(37)33-26-10-13(11-26)12-26/h1-5,8-9,13,15,18,21H,6-7,10-12H2,(H,33,37)(H2,31,32,34,35)/t13?,15-,18+,21-,26?/m0/s1
• InChIKey: KYTDGTQDXZXIMS-OOMVPQIQSA-N
• XLogP: 5.52
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.97
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142138) is [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1C[C@@H](c2cc(Nc3nc(-c4ccc(F)c(Cl)c4)cc4nccn34)n[nH]2)C[C@H]1F.

What is the InChIKey of [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is KYTDGTQDXZXIMS-OOMVPQIQSA-N. The full InChI is InChI=1S/C26H24ClF2N7O2/c27-16-5-14(1-2-17(16)28)19-9-23-30-3-4-36(23)24(31-19)32-22-8-20(34-35-22)15-6-18(29)21(7-15)38-25(37)33-26-10-13(11-26)12-26/h1-5,8-9,13,15,18,21H,6-7,10-12H2,(H,33,37)(H2,31,32,34,35)/t13?,15-,18+,21-,26?/m0/s1.

What are the key properties of [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 539.97 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).