tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate

C24H28FN5O3 — CID 160877651

IUPACtert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate
SMILESCN1CCN(c2cnc3c(Oc4ccc(CC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1
InChIInChI=1S/C24H28FN5O3/c1-24(2,3)33-21(31)13-16-5-6-17(14-18(16)25)32-19-7-8-26-23-22(19)27-15-20(28-23)30-11-9-29(4)10-12-30/h5-8,14-15H,9-13H2,1-4H3
InChIKeySMPMUBBJMFUQHD-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate

tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate (PubChem CID 160877651) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate
PubChem CID160877651
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Nametert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate
SMILESCN1CCN(c2cnc3c(Oc4ccc(CC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1
InChIInChI=1S/C24H28FN5O3/c1-24(2,3)33-21(31)13-16-5-6-17(14-18(16)25)32-19-7-8-26-23-22(19)27-15-20(28-23)30-11-9-29(4)10-12-30/h5-8,14-15H,9-13H2,1-4H3
InChIKeySMPMUBBJMFUQHD-UHFFFAOYSA-N
XLogP3.59
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697
tert-butyl 2-[4-[[3-amino-2-(methylamino)-4-pyridinyl]oxy]-2-fluorophenyl]acetate
CID 148877479
tert-butyl 2-[2-fluoro-4-[(7-methyl-6-oxo-5H-1,8-naphthyridin-4-yl)oxy]phenyl]acetate
CID 159381818
tert-butyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate;2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetamide
CID 162087129
tert-butyl 2-[4-[(7-chloro-1,6-naphthyridin-4-yl)oxy]-2-methoxyphenyl]acetate
CID 87869429
tert-butyl 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetate
CID 66869311
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
tert-butyl 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]acetate
CID 118560205
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
tert-butyl 4-(7-bromoquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[7-[4-(3,3-dimethyl-2-oxobutyl)phenoxy]quinoxalin-2-yl]piperazine-1-carboxylate;1-(4-hydroxyphenyl)-3,3-dimethylbutan-2-one;methane
CID 161242631
2-[2-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 135312445

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate?
The IUPAC name of tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate (CID 160877651) is tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate is CN1CCN(c2cnc3c(Oc4ccc(CC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1.
What is the InChIKey of tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate?
The InChIKey is SMPMUBBJMFUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-24(2,3)33-21(31)13-16-5-6-17(14-18(16)25)32-19-7-8-26-23-22(19)27-15-20(28-23)30-11-9-29(4)10-12-30/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate?
tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate has a molecular weight of 453.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetate is sourced from PubChem (CID 160877651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).