methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate

C26H27F2N7O3 — CID 118207238

IUPACmethyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(C)nc4cn3)cn2)CC1
InChIInChI=1S/C26H27F2N7O3/c1-17-21(11-18-5-3-4-6-22(18)38-25(27)28)35-15-20(29-14-23(35)32-17)19-12-30-26(31-13-19)34-9-7-33(8-10-34)16-24(36)37-2/h3-6,12-15,25H,7-11,16H2,1-2H3
InChIKeyPDXMPBHDSUXSDL-UHFFFAOYSA-N
MW523.54 g/mol
LogP2.98
Rot. Bonds8

About methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate

methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (PubChem CID 118207238) has the molecular formula C26H27F2N7O3 and a molecular weight of 523.54 g/mol. Its IUPAC name is methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
PubChem CID118207238
Molecular FormulaC26H27F2N7O3
Molecular Weight523.54 g/mol
Exact Mass523.21
IUPAC Namemethyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(C)nc4cn3)cn2)CC1
InChIInChI=1S/C26H27F2N7O3/c1-17-21(11-18-5-3-4-6-22(18)38-25(27)28)35-15-20(29-14-23(35)32-17)19-12-30-26(31-13-19)34-9-7-33(8-10-34)16-24(36)37-2/h3-6,12-15,25H,7-11,16H2,1-2H3
InChIKeyPDXMPBHDSUXSDL-UHFFFAOYSA-N
XLogP2.98
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate with MolForge

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Related Compounds

(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 72948712
2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 72949259
methyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]azepane-4-carboxylate
CID 118235740
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 72720693
(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 118235480
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
CID 118235823
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 118235507
5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-1,1-dioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazin-3-one
CID 121266790
sodium 1-[5-[7-chloro-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235638
sodium 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-(hydroxymethyl)piperidine-4-carboxylate
CID 118235787
potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate
CID 118235680
ethyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-methylpiperidine-3-carboxylate
CID 72722010

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (CID 118207238) is methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(C)nc4cn3)cn2)CC1.
What is the InChIKey of methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The InChIKey is PDXMPBHDSUXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O3/c1-17-21(11-18-5-3-4-6-22(18)38-25(27)28)35-15-20(29-14-23(35)32-17)19-12-30-26(31-13-19)34-9-7-33(8-10-34)16-24(36)37-2/h3-6,12-15,25H,7-11,16H2,1-2H3.
What are the key properties of methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate has a molecular weight of 523.54 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 118207238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).