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

C23H27FN6O3 — CID 46901757

IUPACtert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate
SMILESCN1CCN(c2cnc3c(Oc4ccc(NC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1
InChIInChI=1S/C23H27FN6O3/c1-23(2,3)33-22(31)27-17-6-5-15(13-16(17)24)32-18-7-8-25-21-20(18)26-14-19(28-21)30-11-9-29(4)10-12-30/h5-8,13-14H,9-12H2,1-4H3,(H,27,31)
InChIKeyAQZDXQBDRRGQBK-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.05
Rot. Bonds4

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

tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate (PubChem CID 46901757) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate
PubChem CID46901757
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Nametert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate
SMILESCN1CCN(c2cnc3c(Oc4ccc(NC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1
InChIInChI=1S/C23H27FN6O3/c1-23(2,3)33-22(31)27-17-6-5-15(13-16(17)24)32-18-7-8-25-21-20(18)26-14-19(28-21)30-11-9-29(4)10-12-30/h5-8,13-14H,9-12H2,1-4H3,(H,27,31)
InChIKeyAQZDXQBDRRGQBK-UHFFFAOYSA-N
XLogP4.05
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate (CID 46901757) is tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate is CN1CCN(c2cnc3c(Oc4ccc(NC(=O)OC(C)(C)C)c(F)c4)ccnc3n2)CC1.
What is the InChIKey of tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate?
The InChIKey is AQZDXQBDRRGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-23(2,3)33-22(31)27-17-6-5-15(13-16(17)24)32-18-7-8-25-21-20(18)26-14-19(28-21)30-11-9-29(4)10-12-30/h5-8,13-14H,9-12H2,1-4H3,(H,27,31).
What are the key properties of tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate?
tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate has a molecular weight of 454.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]carbamate is sourced from PubChem (CID 46901757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).