[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C20H23F4N7O2 — CID 169140794

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CC(F)(F)F)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C20H23F4N7O2/c1-10(2)26-19(32)33-14-4-3-12(17(14)21)13-7-15(30-29-13)28-18-25-6-5-16-27-11(9-31(16)18)8-20(22,23)24/h5-7,9-10,12,14,17H,3-4,8H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t12-,14-,17-/m1/s1
InChIKeyTYELQZINHATBHS-SUYBPPKGSA-N
MW469.44 g/mol
LogP4.02
Rot. Bonds6

About [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169140794) has the molecular formula C20H23F4N7O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID169140794
Molecular FormulaC20H23F4N7O2
Molecular Weight469.44 g/mol
Exact Mass469.18
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CC(F)(F)F)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C20H23F4N7O2/c1-10(2)26-19(32)33-14-4-3-12(17(14)21)13-7-15(30-29-13)28-18-25-6-5-16-27-11(9-31(16)18)8-20(22,23)24/h5-7,9-10,12,14,17H,3-4,8H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t12-,14-,17-/m1/s1
InChIKeyTYELQZINHATBHS-SUYBPPKGSA-N
XLogP4.02
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169140794) is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CC(F)(F)F)cn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is TYELQZINHATBHS-SUYBPPKGSA-N. The full InChI is InChI=1S/C20H23F4N7O2/c1-10(2)26-19(32)33-14-4-3-12(17(14)21)13-7-15(30-29-13)28-18-25-6-5-16-27-11(9-31(16)18)8-20(22,23)24/h5-7,9-10,12,14,17H,3-4,8H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t12-,14-,17-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,2R,3R)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 469.44 g/mol, XLogP of 4.02, 6 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-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169140794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).