[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C19H20F3N7O3 — CID 164879842

IUPAC[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccc5nc(C(F)(F)F)cn45)n[nH]3)C2)CC1
InChIInChI=1S/C19H20F3N7O3/c1-18(3-4-18)26-17(30)32-10-6-12(31-9-10)11-7-14(28-27-11)25-16-23-5-2-15-24-13(8-29(15)16)19(20,21)22/h2,5,7-8,10,12H,3-4,6,9H2,1H3,(H,26,30)(H2,23,25,27,28)/t10-,12-/m1/s1
InChIKeyMPZLDRCLKLVHOP-ZYHUDNBSSA-N
MW451.41 g/mol
LogP3.32
Rot. Bonds5

About [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879842) has the molecular formula C19H20F3N7O3 and a molecular weight of 451.41 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879842
Molecular FormulaC19H20F3N7O3
Molecular Weight451.41 g/mol
Exact Mass451.16
IUPAC Name[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccc5nc(C(F)(F)F)cn45)n[nH]3)C2)CC1
InChIInChI=1S/C19H20F3N7O3/c1-18(3-4-18)26-17(30)32-10-6-12(31-9-10)11-7-14(28-27-11)25-16-23-5-2-15-24-13(8-29(15)16)19(20,21)22/h2,5,7-8,10,12H,3-4,6,9H2,1H3,(H,26,30)(H2,23,25,27,28)/t10-,12-/m1/s1
InChIKeyMPZLDRCLKLVHOP-ZYHUDNBSSA-N
XLogP3.32
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879842) is [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccc5nc(C(F)(F)F)cn45)n[nH]3)C2)CC1.
What is the InChIKey of [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is MPZLDRCLKLVHOP-ZYHUDNBSSA-N. The full InChI is InChI=1S/C19H20F3N7O3/c1-18(3-4-18)26-17(30)32-10-6-12(31-9-10)11-7-14(28-27-11)25-16-23-5-2-15-24-13(8-29(15)16)19(20,21)22/h2,5,7-8,10,12H,3-4,6,9H2,1H3,(H,26,30)(H2,23,25,27,28)/t10-,12-/m1/s1.
What are the key properties of [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 451.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).