[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate

C21H23N5O6 — CID 16727340

IUPAC[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)c(OC)c3)nc2n1
InChIInChI=1S/C21H23N5O6/c1-4-22-20(27)26-18-8-6-14-19(25-18)24-15(12-23-14)13-5-7-16(17(11-13)30-3)32-21(28)31-10-9-29-2/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,24,25,26,27)
InChIKeyYIVZRFNNTVBZCO-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.00
Rot. Bonds8

About [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate

[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate (PubChem CID 16727340) has the molecular formula C21H23N5O6 and a molecular weight of 441.44 g/mol. Its IUPAC name is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate.

Molecular Properties

Compound Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate
PubChem CID16727340
Molecular FormulaC21H23N5O6
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)c(OC)c3)nc2n1
InChIInChI=1S/C21H23N5O6/c1-4-22-20(27)26-18-8-6-14-19(25-18)24-15(12-23-14)13-5-7-16(17(11-13)30-3)32-21(28)31-10-9-29-2/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,24,25,26,27)
InChIKeyYIVZRFNNTVBZCO-UHFFFAOYSA-N
XLogP3.00
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
CID 16727165
benzenesulfonic acid;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
CID 16727371
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156
4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate
CID 142764045
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
1-[3-(2,3-dihydro-1H-indol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 143504000
1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
CID 70936084

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate?
The IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate (CID 16727340) is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate.
What is the SMILES notation for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate?
The canonical SMILES for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate is CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)c(OC)c3)nc2n1.
What is the InChIKey of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate?
The InChIKey is YIVZRFNNTVBZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6/c1-4-22-20(27)26-18-8-6-14-19(25-18)24-15(12-23-14)13-5-7-16(17(11-13)30-3)32-21(28)31-10-9-29-2/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,24,25,26,27).
What are the key properties of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate?
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate has a molecular weight of 441.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate is sourced from PubChem (CID 16727340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).