[(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C24H30FN5O5 — CID 169141160

About [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141160) has the molecular formula C24H30FN5O5 and a molecular weight of 487.53 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169141160
• Molecular Formula: C24H30FN5O5
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.22
• IUPAC Name: [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(NC(=O)N4CC[C@](O)(Cc5ccccc5F)C4)n[nH]3)C2)CC1
• InChI: InChI=1S/C24H30FN5O5/c1-23(6-7-23)27-22(32)35-16-10-19(34-13-16)18-11-20(29-28-18)26-21(31)30-9-8-24(33,14-30)12-15-4-2-3-5-17(15)25/h2-5,11,16,19,33H,6-10,12-14H2,1H3,(H,27,32)(H2,26,28,29,31)/t16-,19-,24+/m1/s1
• InChIKey: XVIAQMKDVOLBAL-XKPFWTEKSA-N
• XLogP: 2.87
• TPSA: 128.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141160) is [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(NC(=O)N4CC[C@](O)(Cc5ccccc5F)C4)n[nH]3)C2)CC1.

What is the InChIKey of [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is XVIAQMKDVOLBAL-XKPFWTEKSA-N. The full InChI is InChI=1S/C24H30FN5O5/c1-23(6-7-23)27-22(32)35-16-10-19(34-13-16)18-11-20(29-28-18)26-21(31)30-9-8-24(33,14-30)12-15-4-2-3-5-17(15)25/h2-5,11,16,19,33H,6-10,12-14H2,1H3,(H,27,32)(H2,26,28,29,31)/t16-,19-,24+/m1/s1.

What are the key properties of [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 487.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[3-[[(3R)-3-[(2-fluorophenyl)methyl]-3-hydroxypyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).