2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide

C46H49F2N11O6 — CID 154655758

IUPAC2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide
SMILESCC12CCC(c3cn4cc(NC(=O)c5coc(C6CC6)n5)nc(OC5CC(c6ccc(C(F)F)nc6C(=O)Nc6cn7cc(C8CCOCC8)nc7c(N7CCCC7)n6)C5)c4n3)(CO1)C2
InChIInChI=1S/C46H49F2N11O6/c1-45-10-11-46(23-45,24-64-45)33-19-59-21-35(54-41(60)32-22-63-43(51-32)26-4-5-26)56-44(40(59)52-33)65-28-16-27(17-28)29-6-7-30(37(47)48)49-36(29)42(61)55-34-20-58-18-31(25-8-14-62-15-9-25)50-38(58)39(53-34)57-12-2-3-13-57/h6-7,18-22,25-28,37H,2-5,8-17,23-24H2,1H3,(H,54,60)(H,55,61)
InChIKeyUURZZHGNLAATKL-UHFFFAOYSA-N
MW889.96 g/mol
LogP7.50
Rot. Bonds12

About 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 154655758) has the molecular formula C46H49F2N11O6 and a molecular weight of 889.96 g/mol. Its IUPAC name is 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID154655758
Molecular FormulaC46H49F2N11O6
Molecular Weight889.96 g/mol
Exact Mass889.38
IUPAC Name2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide
SMILESCC12CCC(c3cn4cc(NC(=O)c5coc(C6CC6)n5)nc(OC5CC(c6ccc(C(F)F)nc6C(=O)Nc6cn7cc(C8CCOCC8)nc7c(N7CCCC7)n6)C5)c4n3)(CO1)C2
InChIInChI=1S/C46H49F2N11O6/c1-45-10-11-46(23-45,24-64-45)33-19-59-21-35(54-41(60)32-22-63-43(51-32)26-4-5-26)56-44(40(59)52-33)65-28-16-27(17-28)29-6-7-30(37(47)48)49-36(29)42(61)55-34-20-58-18-31(25-8-14-62-15-9-25)50-38(58)39(53-34)57-12-2-3-13-57/h6-7,18-22,25-28,37H,2-5,8-17,23-24H2,1H3,(H,54,60)(H,55,61)
InChIKeyUURZZHGNLAATKL-UHFFFAOYSA-N
XLogP7.50
TPSA188.43 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.96
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide (CID 154655758) is 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide is CC12CCC(c3cn4cc(NC(=O)c5coc(C6CC6)n5)nc(OC5CC(c6ccc(C(F)F)nc6C(=O)Nc6cn7cc(C8CCOCC8)nc7c(N7CCCC7)n6)C5)c4n3)(CO1)C2.
What is the InChIKey of 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is UURZZHGNLAATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49F2N11O6/c1-45-10-11-46(23-45,24-64-45)33-19-59-21-35(54-41(60)32-22-63-43(51-32)26-4-5-26)56-44(40(59)52-33)65-28-16-27(17-28)29-6-7-30(37(47)48)49-36(29)42(61)55-34-20-58-18-31(25-8-14-62-15-9-25)50-38(58)39(53-34)57-12-2-3-13-57/h6-7,18-22,25-28,37H,2-5,8-17,23-24H2,1H3,(H,54,60)(H,55,61).
What are the key properties of 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 889.96 g/mol, XLogP of 7.50, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[8-[3-[6-(difluoromethyl)-2-[[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]carbamoyl]-3-pyridinyl]cyclobutyl]oxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154655758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).