[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C21H28FN7O3 — CID 169141046

About [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169141046) has the molecular formula C21H28FN7O3 and a molecular weight of 445.50 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169141046
• Molecular Formula: C21H28FN7O3
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.22
• IUPAC Name: [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@H]4F)[nH]n3)nc(C)cc2n1
• InChI: InChI=1S/C21H28FN7O3/c1-11(2)23-21(30)32-16-6-5-14(19(16)22)15-8-17(28-27-15)26-20-24-12(3)7-18-25-13(10-31-4)9-29(18)20/h7-9,11,14,16,19H,5-6,10H2,1-4H3,(H,23,30)(H2,24,26,27,28)/t14-,16-,19+/m1/s1
• InChIKey: GCUJSPMLILIBNR-OGWOLHLISA-N
• XLogP: 3.37
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169141046) is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@H]4F)[nH]n3)nc(C)cc2n1.

What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is GCUJSPMLILIBNR-OGWOLHLISA-N. The full InChI is InChI=1S/C21H28FN7O3/c1-11(2)23-21(30)32-16-6-5-14(19(16)22)15-8-17(28-27-15)26-20-24-12(3)7-18-25-13(10-31-4)9-29(18)20/h7-9,11,14,16,19H,5-6,10H2,1-4H3,(H,23,30)(H2,24,26,27,28)/t14-,16-,19+/m1/s1.

What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 445.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169141046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).