[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C21H21F4N7O2 — CID 169142731

About [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142731) has the molecular formula C21H21F4N7O2 and a molecular weight of 479.44 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142731
• Molecular Formula: C21H21F4N7O2
• Molecular Weight: 479.44 g/mol
• Exact Mass: 479.17
• IUPAC Name: [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(C(F)(F)F)cn34)n[nH]2)[C@H]1F
• InChI: InChI=1S/C21H21F4N7O2/c22-17-11(1-2-13(17)34-19(33)29-20-6-10(7-20)8-20)12-5-15(31-30-12)28-18-26-4-3-16-27-14(9-32(16)18)21(23,24)25/h3-5,9-11,13,17H,1-2,6-8H2,(H,29,33)(H2,26,28,30,31)/t10?,11-,13-,17-,20?/m1/s1
• InChIKey: ZIWAMHGXNDLYMH-AGUJOJFHSA-N
• XLogP: 4.08
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.44
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142731) is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(C(F)(F)F)cn34)n[nH]2)[C@H]1F.

What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is ZIWAMHGXNDLYMH-AGUJOJFHSA-N. The full InChI is InChI=1S/C21H21F4N7O2/c22-17-11(1-2-13(17)34-19(33)29-20-6-10(7-20)8-20)12-5-15(31-30-12)28-18-26-4-3-16-27-14(9-32(16)18)21(23,24)25/h3-5,9-11,13,17H,1-2,6-8H2,(H,29,33)(H2,26,28,30,31)/t10?,11-,13-,17-,20?/m1/s1.

What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 479.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).