[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate

C82H81N21O16 — CID 160724855

IUPAC[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(CC)CC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)Oc4ccccc4)cc3)nc2n1
InChIInChI=1S/C23H19N5O4.C21H24N6O3.C20H21N5O5.C18H17N5O4/c1-2-24-22(29)28-20-13-12-18-21(27-20)26-19(14-25-18)15-8-10-17(11-9-15)32-23(30)31-16-6-4-3-5-7-16;1-4-22-20(28)26-18-12-11-16-19(25-18)24-17(13-23-16)14-7-9-15(10-8-14)30-21(29)27(5-2)6-3;1-3-21-19(26)25-17-9-8-15-18(24-17)23-16(12-22-15)13-4-6-14(7-5-13)30-20(27)29-11-10-28-2;1-3-19-17(24)23-15-9-8-13-16(22-15)21-14(10-20-13)11-4-6-12(7-5-11)27-18(25)26-2/h3-14H,2H2,1H3,(H2,24,26,27,28,29);7-13H,4-6H2,1-3H3,(H2,22,24,25,26,28);4-9,12H,3,10-11H2,1-2H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyRTOMWCCYJJWQOG-UHFFFAOYSA-N
MW1616.68 g/mol
LogP14.06
Rot. Bonds22

About [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate

[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate (PubChem CID 160724855) has the molecular formula C82H81N21O16 and a molecular weight of 1616.68 g/mol. Its IUPAC name is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate.

Molecular Properties

Compound Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate
PubChem CID160724855
Molecular FormulaC82H81N21O16
Molecular Weight1616.68 g/mol
Exact Mass1615.62
IUPAC Name[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(CC)CC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)Oc4ccccc4)cc3)nc2n1
InChIInChI=1S/C23H19N5O4.C21H24N6O3.C20H21N5O5.C18H17N5O4/c1-2-24-22(29)28-20-13-12-18-21(27-20)26-19(14-25-18)15-8-10-17(11-9-15)32-23(30)31-16-6-4-3-5-7-16;1-4-22-20(28)26-18-12-11-16-19(25-18)24-17(13-23-16)14-7-9-15(10-8-14)30-21(29)27(5-2)6-3;1-3-21-19(26)25-17-9-8-15-18(24-17)23-16(12-22-15)13-4-6-14(7-5-13)30-20(27)29-11-10-28-2;1-3-19-17(24)23-15-9-8-13-16(22-15)21-14(10-20-13)11-4-6-12(7-5-11)27-18(25)26-2/h3-14H,2H2,1H3,(H2,24,26,27,28,29);7-13H,4-6H2,1-3H3,(H2,22,24,25,26,28);4-9,12H,3,10-11H2,1-2H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyRTOMWCCYJJWQOG-UHFFFAOYSA-N
XLogP14.06
TPSA464.56 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001616.68
LogP ≤ 514.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate with MolForge

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Related Compounds

4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-phenyl-piperazine-1-carboxamide
CID 11179251
1-[3-(3,4-Dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558366
1-[3-[4-(2-Morpholin-4-ylethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 70816327
1-[3-[4-[2-(2-Hydroxyethoxy)ethoxy]phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 70816615
1-Ethyl-3-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881834
1-Ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881788
1-Ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881794
Tert-butyl 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-2-methylpiperazine-1-carboxylate
CID 66600041
(R)-tert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-2-methylpiperazine-1-carboxylate
CID 66600042
Tert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperazine-1-carboxylate
CID 66600044
tert-butyl 4-[(1R)-1-[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate
CID 66600398
tert-butyl (3S)-4-[2-[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate
CID 66600399

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate?
The IUPAC name of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate (CID 160724855) is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate.
What is the SMILES notation for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate?
The canonical SMILES for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate is CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)N(CC)CC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)Oc4ccccc4)cc3)nc2n1.
What is the InChIKey of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate?
The InChIKey is RTOMWCCYJJWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4.C21H24N6O3.C20H21N5O5.C18H17N5O4/c1-2-24-22(29)28-20-13-12-18-21(27-20)26-19(14-25-18)15-8-10-17(11-9-15)32-23(30)31-16-6-4-3-5-7-16;1-4-22-20(28)26-18-12-11-16-19(25-18)24-17(13-23-16)14-7-9-15(10-8-14)30-21(29)27(5-2)6-3;1-3-21-19(26)25-17-9-8-15-18(24-17)23-16(12-22-15)13-4-6-14(7-5-13)30-20(27)29-11-10-28-2;1-3-19-17(24)23-15-9-8-13-16(22-15)21-14(10-20-13)11-4-6-12(7-5-11)27-18(25)26-2/h3-14H,2H2,1H3,(H2,24,26,27,28,29);7-13H,4-6H2,1-3H3,(H2,22,24,25,26,28);4-9,12H,3,10-11H2,1-2H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate?
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate has a molecular weight of 1616.68 g/mol, XLogP of 14.06, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-diethylcarbamate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] phenyl carbonate is sourced from PubChem (CID 160724855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).