[(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C23H28FN7O4 — CID 170121403

About [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170121403) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 170121403
• Molecular Formula: C23H28FN7O4
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.22
• IUPAC Name: [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C3CC3)cc2n1
• InChI: InChI=1S/C23H28FN7O4/c1-23(5-6-23)28-22(32)35-16-11-34-20(19(16)24)15-7-17(30-29-15)27-21-26-14(12-3-4-12)8-18-25-13(10-33-2)9-31(18)21/h7-9,12,16,19-20H,3-6,10-11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t16-,19-,20-/m0/s1
• InChIKey: AYWPVZZJZITDMY-VDGAXYAQSA-N
• XLogP: 3.28
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 170121403) is [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C3CC3)cc2n1.

What is the InChIKey of [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is AYWPVZZJZITDMY-VDGAXYAQSA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-23(5-6-23)28-22(32)35-16-11-34-20(19(16)24)15-7-17(30-29-15)27-21-26-14(12-3-4-12)8-18-25-13(10-33-2)9-31(18)21/h7-9,12,16,19-20H,3-6,10-11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t16-,19-,20-/m0/s1.

What are the key properties of [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 485.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-5-[3-[[7-cyclopropyl-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170121403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).