[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C20H25F2N7O3 — CID 169143187

About [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169143187) has the molecular formula C20H25F2N7O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169143187
• Molecular Formula: C20H25F2N7O3
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.20
• IUPAC Name: [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[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)ncc(F)c2n1
• InChI: InChI=1S/C20H25F2N7O3/c1-10(2)24-20(30)32-15-5-4-12(17(15)22)14-6-16(28-27-14)26-19-23-7-13(21)18-25-11(9-31-3)8-29(18)19/h6-8,10,12,15,17H,4-5,9H2,1-3H3,(H,24,30)(H2,23,26,27,28)/t12-,15-,17-/m0/s1
• InChIKey: IRPKNVRTUOMYEO-NUTKFTJISA-N
• XLogP: 3.20
• 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	449.46
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169143187) is [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[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)ncc(F)c2n1.

What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is IRPKNVRTUOMYEO-NUTKFTJISA-N. The full InChI is InChI=1S/C20H25F2N7O3/c1-10(2)24-20(30)32-15-5-4-12(17(15)22)14-6-16(28-27-14)26-19-23-7-13(21)18-25-11(9-31-3)8-29(18)19/h6-8,10,12,15,17H,4-5,9H2,1-3H3,(H,24,30)(H2,23,26,27,28)/t12-,15-,17-/m0/s1.

What are the key properties of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 449.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169143187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).