tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate

C29H31N5O4 — CID 154071232

IUPACtert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate
SMILESCOc1cccc(C=Cc2cn3c(-c4ccc(C(=O)OC(C)(C)C)cc4)cnc(N4CCOCC4)c3n2)n1
InChIInChI=1S/C29H31N5O4/c1-29(2,3)38-28(35)21-10-8-20(9-11-21)24-18-30-26(33-14-16-37-17-15-33)27-32-23(19-34(24)27)13-12-22-6-5-7-25(31-22)36-4/h5-13,18-19H,14-17H2,1-4H3
InChIKeySJAYBDREOBXFAR-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.76
Rot. Bonds6

About tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate

tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate (PubChem CID 154071232) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate
PubChem CID154071232
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Nametert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate
SMILESCOc1cccc(C=Cc2cn3c(-c4ccc(C(=O)OC(C)(C)C)cc4)cnc(N4CCOCC4)c3n2)n1
InChIInChI=1S/C29H31N5O4/c1-29(2,3)38-28(35)21-10-8-20(9-11-21)24-18-30-26(33-14-16-37-17-15-33)27-32-23(19-34(24)27)13-12-22-6-5-7-25(31-22)36-4/h5-13,18-19H,14-17H2,1-4H3
InChIKeySJAYBDREOBXFAR-UHFFFAOYSA-N
XLogP4.76
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 123844636
[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
CID 123657151
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123392808
tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 86345944
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
N,N-dimethyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl)benzamide
CID 126473291
tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67255748
5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 86345643
tert-butyl 4-[2-(hydroxymethyl)-3-methoxyphenyl]benzoate
CID 178183491
methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 123515518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate?
The IUPAC name of tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate (CID 154071232) is tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate.
What is the SMILES notation for tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate?
The canonical SMILES for tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate is COc1cccc(C=Cc2cn3c(-c4ccc(C(=O)OC(C)(C)C)cc4)cnc(N4CCOCC4)c3n2)n1.
What is the InChIKey of tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate?
The InChIKey is SJAYBDREOBXFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-29(2,3)38-28(35)21-10-8-20(9-11-21)24-18-30-26(33-14-16-37-17-15-33)27-32-23(19-34(24)27)13-12-22-6-5-7-25(31-22)36-4/h5-13,18-19H,14-17H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate?
tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate has a molecular weight of 513.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoate is sourced from PubChem (CID 154071232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).