[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C20H21F4N7O3 — CID 169142858

About [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142858) has the molecular formula C20H21F4N7O3 and a molecular weight of 483.43 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169142858
• Molecular Formula: C20H21F4N7O3
• Molecular Weight: 483.43 g/mol
• Exact Mass: 483.16
• IUPAC Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nccn5nc(OC(F)(F)F)cc45)n[nH]3)C[C@H]2F)CC1
• InChI: InChI=1S/C20H21F4N7O3/c1-19(2-3-19)27-18(32)33-14-7-10(6-11(14)21)12-8-15(29-28-12)26-17-13-9-16(34-20(22,23)24)30-31(13)5-4-25-17/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,27,32)(H2,25,26,28,29)/t10-,11+,14-/m0/s1
• InChIKey: CFYFCOUFIPWDDO-WDMOLILDSA-N
• XLogP: 3.96
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.43
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142858) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

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

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

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

The InChIKey is CFYFCOUFIPWDDO-WDMOLILDSA-N. The full InChI is InChI=1S/C20H21F4N7O3/c1-19(2-3-19)27-18(32)33-14-7-10(6-11(14)21)12-8-15(29-28-12)26-17-13-9-16(34-20(22,23)24)30-31(13)5-4-25-17/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,27,32)(H2,25,26,28,29)/t10-,11+,14-/m0/s1.

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

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 483.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxy)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).