2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol

C22H21F2N5O2 — CID 72949259

IUPAC2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H21F2N5O2/c1-13-17(8-14-6-4-5-7-18(14)31-21(23)24)29-12-16(25-11-19(29)28-13)15-9-26-20(27-10-15)22(2,3)30/h4-7,9-12,21,30H,8H2,1-3H3
InChIKeyLFHQEOQTIBGYNN-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.91
Rot. Bonds6

About 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 72949259) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID72949259
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H21F2N5O2/c1-13-17(8-14-6-4-5-7-18(14)31-21(23)24)29-12-16(25-11-19(29)28-13)15-9-26-20(27-10-15)22(2,3)30/h4-7,9-12,21,30H,8H2,1-3H3
InChIKeyLFHQEOQTIBGYNN-UHFFFAOYSA-N
XLogP3.91
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol (CID 72949259) is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol is Cc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is LFHQEOQTIBGYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c1-13-17(8-14-6-4-5-7-18(14)31-21(23)24)29-12-16(25-11-19(29)28-13)15-9-26-20(27-10-15)22(2,3)30/h4-7,9-12,21,30H,8H2,1-3H3.
What are the key properties of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 425.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 72949259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).