[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

C20H26FN7O4 — CID 169143191

About [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 169143191) has the molecular formula C20H26FN7O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• PubChem CID: 169143191
• Molecular Formula: C20H26FN7O4
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.20
• IUPAC Name: [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• SMILES: COCc1cn2c(Nc3cc([C@H]4OC[C@@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nc(C)cc2n1
• InChI: InChI=1S/C20H26FN7O4/c1-10(2)22-20(29)32-14-9-31-18(17(14)21)13-6-15(27-26-13)25-19-23-11(3)5-16-24-12(8-30-4)7-28(16)19/h5-7,10,14,17-18H,8-9H2,1-4H3,(H,22,29)(H2,23,25,26,27)/t14-,17+,18-/m1/s1
• InChIKey: SFNAUDWIGFARQZ-FHLIZLRMSA-N
• XLogP: 2.56
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (CID 169143191) is [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

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

What is the InChIKey of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The InChIKey is SFNAUDWIGFARQZ-FHLIZLRMSA-N. The full InChI is InChI=1S/C20H26FN7O4/c1-10(2)22-20(29)32-14-9-31-18(17(14)21)13-6-15(27-26-13)25-19-23-11(3)5-16-24-12(8-30-4)7-28(16)19/h5-7,10,14,17-18H,8-9H2,1-4H3,(H,22,29)(H2,23,25,26,27)/t14-,17+,18-/m1/s1.

What are the key properties of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 447.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169143191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).