[(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C20H23F2N7O4 — CID 164879376

About [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879376) has the molecular formula C20H23F2N7O4 and a molecular weight of 463.45 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879376
• Molecular Formula: C20H23F2N7O4
• Molecular Weight: 463.45 g/mol
• Exact Mass: 463.18
• IUPAC Name: [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(COC(F)F)cc45)n[nH]3)C2)CC1
• InChI: InChI=1S/C20H23F2N7O4/c1-20(2-3-20)25-19(30)33-12-7-15(31-10-12)13-8-16(27-26-13)24-17-14-6-11(9-32-18(21)22)28-29(14)5-4-23-17/h4-6,8,12,15,18H,2-3,7,9-10H2,1H3,(H,25,30)(H2,23,24,26,27)/t12-,15-/m1/s1
• InChIKey: UAYMQQXLSTZRCI-IUODEOHRSA-N
• XLogP: 3.04
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879376) is [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(COC(F)F)cc45)n[nH]3)C2)CC1.

What is the InChIKey of [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is UAYMQQXLSTZRCI-IUODEOHRSA-N. The full InChI is InChI=1S/C20H23F2N7O4/c1-20(2-3-20)25-19(30)33-12-7-15(31-10-12)13-8-16(27-26-13)24-17-14-6-11(9-32-18(21)22)28-29(14)5-4-23-17/h4-6,8,12,15,18H,2-3,7,9-10H2,1H3,(H,25,30)(H2,23,24,26,27)/t12-,15-/m1/s1.

What are the key properties of [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 463.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).