[(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate

C25H33FN8O2 — CID 169142944

About [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate

[(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate (PubChem CID 169142944) has the molecular formula C25H33FN8O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate
• PubChem CID: 169142944
• Molecular Formula: C25H33FN8O2
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.27
• IUPAC Name: [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate
• SMILES: O=C(NCCC1CCC1)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CN5CCC5)cn34)n[nH]2)[C@@H]1F
• InChI: InChI=1S/C25H33FN8O2/c26-23-18(5-6-20(23)36-25(35)28-9-7-16-3-1-4-16)19-13-21(32-31-19)30-24-27-10-8-22-29-17(15-34(22)24)14-33-11-2-12-33/h8,10,13,15-16,18,20,23H,1-7,9,11-12,14H2,(H,28,35)(H2,27,30,31,32)/t18-,20-,23+/m1/s1
• InChIKey: SMUQJQPECBLPMT-XQFWAAQXSA-N
• XLogP: 3.90
• TPSA: 112.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate?

The IUPAC name of [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate (CID 169142944) is [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate.

What is the SMILES notation for [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate?

The canonical SMILES for [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate is O=C(NCCC1CCC1)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CN5CCC5)cn34)n[nH]2)[C@@H]1F.

What is the InChIKey of [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate?

The InChIKey is SMUQJQPECBLPMT-XQFWAAQXSA-N. The full InChI is InChI=1S/C25H33FN8O2/c26-23-18(5-6-20(23)36-25(35)28-9-7-16-3-1-4-16)19-13-21(32-31-19)30-24-27-10-8-22-29-17(15-34(22)24)14-33-11-2-12-33/h8,10,13,15-16,18,20,23H,1-7,9,11-12,14H2,(H,28,35)(H2,27,30,31,32)/t18-,20-,23+/m1/s1.

What are the key properties of [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate?

[(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate has a molecular weight of 496.59 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate is sourced from PubChem (CID 169142944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).