6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C18H18F2N6O — CID 139357729

IUPAC6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1
InChIInChI=1S/C18H18F2N6O/c19-17(20)13-8-26-14(5-23-16(26)6-22-13)18-21-3-1-15(24-18)25-4-2-11(7-25)12-9-27-10-12/h1,3,5-6,8,11-12,17H,2,4,7,9-10H2
InChIKeyVPTOWCLZLNMNSP-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.60
Rot. Bonds4

About 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357729) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357729
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1
InChIInChI=1S/C18H18F2N6O/c19-17(20)13-8-26-14(5-23-16(26)6-22-13)18-21-3-1-15(24-18)25-4-2-11(7-25)12-9-27-10-12/h1,3,5-6,8,11-12,17H,2,4,7,9-10H2
InChIKeyVPTOWCLZLNMNSP-UHFFFAOYSA-N
XLogP2.60
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357729) is 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is VPTOWCLZLNMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c19-17(20)13-8-26-14(5-23-16(26)6-22-13)18-21-3-1-15(24-18)25-4-2-11(7-25)12-9-27-10-12/h1,3,5-6,8,11-12,17H,2,4,7,9-10H2.
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 372.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).