[(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C23H30N6O4 — CID 169141710

About [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141710) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169141710
• Molecular Formula: C23H30N6O4
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.23
• IUPAC Name: [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@@H]2CO[C@H](c3cc(NCC(=O)N4CC[C@@H](c5cccnc5)C4)n[nH]3)C2)CC1
• InChI: InChI=1S/C23H30N6O4/c1-23(5-6-23)26-22(31)33-17-9-19(32-14-17)18-10-20(28-27-18)25-12-21(30)29-8-4-16(13-29)15-3-2-7-24-11-15/h2-3,7,10-11,16-17,19H,4-6,8-9,12-14H2,1H3,(H,26,31)(H2,25,27,28)/t16-,17+,19+/m1/s1
• InChIKey: YJVWDXSVIMCFGU-AOIWGVFYSA-N
• XLogP: 2.34
• TPSA: 121.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141710) is [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CO[C@H](c3cc(NCC(=O)N4CC[C@@H](c5cccnc5)C4)n[nH]3)C2)CC1.

What is the InChIKey of [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is YJVWDXSVIMCFGU-AOIWGVFYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-23(5-6-23)26-22(31)33-17-9-19(32-14-17)18-10-20(28-27-18)25-12-21(30)29-8-4-16(13-29)15-3-2-7-24-11-15/h2-3,7,10-11,16-17,19H,4-6,8-9,12-14H2,1H3,(H,26,31)(H2,25,27,28)/t16-,17+,19+/m1/s1.

What are the key properties of [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 454.53 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).