[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C21H23F4N7O3 — CID 170117354

IUPAC[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nccc5nc(COC(F)(F)F)cn45)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C21H23F4N7O3/c1-20(3-4-20)29-19(33)35-15-7-11(6-13(15)22)14-8-16(31-30-14)28-18-26-5-2-17-27-12(9-32(17)18)10-34-21(23,24)25/h2,5,8-9,11,13,15H,3-4,6-7,10H2,1H3,(H,29,33)(H2,26,28,30,31)/t11-,13+,15-/m0/s1
InChIKeyZVEWDPRLNLYOIA-LNSITVRQSA-N
MW497.45 g/mol
LogP4.10
Rot. Bonds7

About [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170117354) has the molecular formula C21H23F4N7O3 and a molecular weight of 497.45 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170117354
Molecular FormulaC21H23F4N7O3
Molecular Weight497.45 g/mol
Exact Mass497.18
IUPAC Name[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nccc5nc(COC(F)(F)F)cn45)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C21H23F4N7O3/c1-20(3-4-20)29-19(33)35-15-7-11(6-13(15)22)14-8-16(31-30-14)28-18-26-5-2-17-27-12(9-32(17)18)10-34-21(23,24)25/h2,5,8-9,11,13,15H,3-4,6-7,10H2,1H3,(H,29,33)(H2,26,28,30,31)/t11-,13+,15-/m0/s1
InChIKeyZVEWDPRLNLYOIA-LNSITVRQSA-N
XLogP4.10
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170117354) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nccc5nc(COC(F)(F)F)cn45)n[nH]3)C[C@H]2F)CC1.
What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is ZVEWDPRLNLYOIA-LNSITVRQSA-N. The full InChI is InChI=1S/C21H23F4N7O3/c1-20(3-4-20)29-19(33)35-15-7-11(6-13(15)22)14-8-16(31-30-14)28-18-26-5-2-17-27-12(9-32(17)18)10-34-21(23,24)25/h2,5,8-9,11,13,15H,3-4,6-7,10H2,1H3,(H,29,33)(H2,26,28,30,31)/t11-,13+,15-/m0/s1.
What are the key properties of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 497.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170117354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).