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

C24H24ClF2N7O2 — CID 169141116

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

[(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169141116) has the molecular formula C24H24ClF2N7O2 and a molecular weight of 515.95 g/mol. Its IUPAC name is [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169141116
• Molecular Formula: C24H24ClF2N7O2
• Molecular Weight: 515.95 g/mol
• Exact Mass: 515.16
• IUPAC Name: [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nc(-c4ccc(F)c(Cl)c4)cc4nccn34)n[nH]2)[C@H]1F
• InChI: InChI=1S/C24H24ClF2N7O2/c1-12(2)29-24(35)36-19-6-4-14(22(19)27)18-10-20(33-32-18)31-23-30-17(11-21-28-7-8-34(21)23)13-3-5-16(26)15(25)9-13/h3,5,7-12,14,19,22H,4,6H2,1-2H3,(H,29,35)(H2,30,31,32,33)/t14-,19-,22+/m0/s1
• InChIKey: HXBHOZSZKLMJFF-OSGPJOMKSA-N
• XLogP: 5.37
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.95
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 169141116) is [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

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

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

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

The InChIKey is HXBHOZSZKLMJFF-OSGPJOMKSA-N. The full InChI is InChI=1S/C24H24ClF2N7O2/c1-12(2)29-24(35)36-19-6-4-14(22(19)27)18-10-20(33-32-18)31-23-30-17(11-21-28-7-8-34(21)23)13-3-5-16(26)15(25)9-13/h3,5,7-12,14,19,22H,4,6H2,1-2H3,(H,29,35)(H2,30,31,32,33)/t14-,19-,22+/m0/s1.

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

[(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 515.95 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169141116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).