[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H22F7N7O3 — CID 169140784

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3ncc(C(F)(F)F)c4nc(COC(F)(F)F)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C23H22F7N7O3/c24-17-12(1-2-15(17)40-20(38)34-21-4-10(5-21)6-21)14-3-16(36-35-14)33-19-31-7-13(22(25,26)27)18-32-11(8-37(18)19)9-39-23(28,29)30/h3,7-8,10,12,15,17H,1-2,4-6,9H2,(H,34,38)(H2,31,33,35,36)/t10?,12-,15-,17-,21?/m1/s1
InChIKeyWSUCPZLLRQVIDB-WJINAMJJSA-N
MW577.46 g/mol
LogP5.11
Rot. Bonds7

About [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169140784) has the molecular formula C23H22F7N7O3 and a molecular weight of 577.46 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169140784
Molecular FormulaC23H22F7N7O3
Molecular Weight577.46 g/mol
Exact Mass577.17
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3ncc(C(F)(F)F)c4nc(COC(F)(F)F)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C23H22F7N7O3/c24-17-12(1-2-15(17)40-20(38)34-21-4-10(5-21)6-21)14-3-16(36-35-14)33-19-31-7-13(22(25,26)27)18-32-11(8-37(18)19)9-39-23(28,29)30/h3,7-8,10,12,15,17H,1-2,4-6,9H2,(H,34,38)(H2,31,33,35,36)/t10?,12-,15-,17-,21?/m1/s1
InChIKeyWSUCPZLLRQVIDB-WJINAMJJSA-N
XLogP5.11
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.46
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169140784) is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(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(Nc3ncc(C(F)(F)F)c4nc(COC(F)(F)F)cn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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 WSUCPZLLRQVIDB-WJINAMJJSA-N. The full InChI is InChI=1S/C23H22F7N7O3/c24-17-12(1-2-15(17)40-20(38)34-21-4-10(5-21)6-21)14-3-16(36-35-14)33-19-31-7-13(22(25,26)27)18-32-11(8-37(18)19)9-39-23(28,29)30/h3,7-8,10,12,15,17H,1-2,4-6,9H2,(H,34,38)(H2,31,33,35,36)/t10?,12-,15-,17-,21?/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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-(trifluoromethoxymethyl)-8-(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 577.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)-8-(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 169140784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).