[(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C23H27ClF3N7O3 — CID 164879635

About [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879635) has the molecular formula C23H27ClF3N7O3 and a molecular weight of 541.96 g/mol. Its IUPAC name is [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879635
• Molecular Formula: C23H27ClF3N7O3
• Molecular Weight: 541.96 g/mol
• Exact Mass: 541.18
• IUPAC Name: [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nc(Cl)cc5nc(C(F)(F)F)cn45)n(C(C)(C)C)n3)C2)CC1
• InChI: InChI=1S/C23H27ClF3N7O3/c1-21(2,3)34-18(30-19-29-16(24)9-17-28-15(10-33(17)19)23(25,26)27)8-13(32-34)14-7-12(11-36-14)37-20(35)31-22(4)5-6-22/h8-10,12,14H,5-7,11H2,1-4H3,(H,29,30)(H,31,35)/t12-,14-/m1/s1
• InChIKey: VAOGOXNCCFCTCO-TZMCWYRMSA-N
• XLogP: 5.21
• TPSA: 107.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.96
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879635) is [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nc(Cl)cc5nc(C(F)(F)F)cn45)n(C(C)(C)C)n3)C2)CC1.

What is the InChIKey of [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is VAOGOXNCCFCTCO-TZMCWYRMSA-N. The full InChI is InChI=1S/C23H27ClF3N7O3/c1-21(2,3)34-18(30-19-29-16(24)9-17-28-15(10-33(17)19)23(25,26)27)8-13(32-34)14-7-12(11-36-14)37-20(35)31-22(4)5-6-22/h8-10,12,14H,5-7,11H2,1-4H3,(H,29,30)(H,31,35)/t12-,14-/m1/s1.

What are the key properties of [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 541.96 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).