[(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

C25H27FN10O2 — CID 169143017

About [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169143017) has the molecular formula C25H27FN10O2 and a molecular weight of 518.56 g/mol. Its IUPAC name is [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169143017
• Molecular Formula: C25H27FN10O2
• Molecular Weight: 518.56 g/mol
• Exact Mass: 518.23
• IUPAC Name: [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)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(Nc3ncc(-c4ccnn4C4CC4)c4nc(C#N)cn34)n[nH]2)[C@H]1F
• InChI: InChI=1S/C25H27FN10O2/c1-13(2)30-25(37)38-20-6-5-16(22(20)26)18-9-21(34-33-18)32-24-28-11-17(23-31-14(10-27)12-35(23)24)19-7-8-29-36(19)15-3-4-15/h7-9,11-13,15-16,20,22H,3-6H2,1-2H3,(H,30,37)(H2,28,32,33,34)/t16-,20-,22-/m1/s1
• InChIKey: CFJVCPXIHVHGLT-BSLALVQMSA-N
• XLogP: 3.98
• TPSA: 150.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.56
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 169143017) is [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)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(Nc3ncc(-c4ccnn4C4CC4)c4nc(C#N)cn34)n[nH]2)[C@H]1F.

What is the InChIKey of [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is CFJVCPXIHVHGLT-BSLALVQMSA-N. The full InChI is InChI=1S/C25H27FN10O2/c1-13(2)30-25(37)38-20-6-5-16(22(20)26)18-9-21(34-33-18)32-24-28-11-17(23-31-14(10-27)12-35(23)24)19-7-8-29-36(19)15-3-4-15/h7-9,11-13,15-16,20,22H,3-6H2,1-2H3,(H,30,37)(H2,28,32,33,34)/t16-,20-,22-/m1/s1.

What are the key properties of [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

[(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 518.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169143017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).