tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate

C25H32F3N7O3 — CID 178058467

About tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate (PubChem CID 178058467) has the molecular formula C25H32F3N7O3 and a molecular weight of 535.57 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate
• PubChem CID: 178058467
• Molecular Formula: C25H32F3N7O3
• Molecular Weight: 535.57 g/mol
• Exact Mass: 535.25
• IUPAC Name: tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate
• SMILES: CC(C)(Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)C(Cc1cnc2ncccn12)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C25H32F3N7O3/c1-23(2,3)38-22(37)31-17(11-16-13-30-21-29-9-6-10-34(16)21)20(36)32-24(4,5)14-35-18(15-7-8-15)12-19(33-35)25(26,27)28/h6,9-10,12-13,15,17H,7-8,11,14H2,1-5H3,(H,31,37)(H,32,36)
• InChIKey: BOLYSKFJCQPWFN-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.57
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate (CID 178058467) is tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate is CC(C)(Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)C(Cc1cnc2ncccn12)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate?

The InChIKey is BOLYSKFJCQPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N7O3/c1-23(2,3)38-22(37)31-17(11-16-13-30-21-29-9-6-10-34(16)21)20(36)32-24(4,5)14-35-18(15-7-8-15)12-19(33-35)25(26,27)28/h6,9-10,12-13,15,17H,7-8,11,14H2,1-5H3,(H,31,37)(H,32,36).

What are the key properties of tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 535.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]amino]-3-imidazo[1,2-a]pyrimidin-3-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 178058467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).