tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate

C19H19FN4O4 — CID 140639510

IUPACtert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate
SMILESCc1nc2c(Oc3ccccc3NC(=O)OC(C)(C)C)ccnc2n(F)c1=O
InChIInChI=1S/C19H19FN4O4/c1-11-17(25)24(20)16-15(22-11)14(9-10-21-16)27-13-8-6-5-7-12(13)23-18(26)28-19(2,3)4/h5-10H,1-4H3,(H,23,26)
InChIKeyQVHMURXCZKBMLC-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.97
Rot. Bonds3

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

tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate (PubChem CID 140639510) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate
PubChem CID140639510
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Nametert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate
SMILESCc1nc2c(Oc3ccccc3NC(=O)OC(C)(C)C)ccnc2n(F)c1=O
InChIInChI=1S/C19H19FN4O4/c1-11-17(25)24(20)16-15(22-11)14(9-10-21-16)27-13-8-6-5-7-12(13)23-18(26)28-19(2,3)4/h5-10H,1-4H3,(H,23,26)
InChIKeyQVHMURXCZKBMLC-UHFFFAOYSA-N
XLogP3.97
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate (CID 140639510) is tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate is Cc1nc2c(Oc3ccccc3NC(=O)OC(C)(C)C)ccnc2n(F)c1=O.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate?
The InChIKey is QVHMURXCZKBMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-11-17(25)24(20)16-15(22-11)14(9-10-21-16)27-13-8-6-5-7-12(13)23-18(26)28-19(2,3)4/h5-10H,1-4H3,(H,23,26).
What are the key properties of tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate?
tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate has a molecular weight of 386.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate is sourced from PubChem (CID 140639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).