1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride

C193H207Cl2N55O17 — CID 158266217

IUPAC1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride
SMILESCC(=O)OCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)N(CCN1CCCCC1)c1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cc(C)ccc3OC)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(C)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)NC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(N(C)c3ccc(C)cc3)nc2n1.Cl.Cl.NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C24H22N6O2.C23H28N6O.C20H21N5O3.C19H21N5O2.C18H18N6O2.2C18H20N6O.2C18H19N5O2.C17H17N5O.2ClH/c1-2-25-24(32)30-21-13-12-19-23(29-21)28-20(15-26-19)17-8-10-18(11-9-17)27-22(31)14-16-6-4-3-5-7-16;1-2-24-23(30)29(16-15-28-13-7-4-8-14-28)21-12-11-19-22(27-21)26-20(17-25-19)18-9-5-3-6-10-18;1-14(26)28-12-6-5-11-21-20(27)25-18-10-9-16-19(24-18)23-17(13-22-16)15-7-3-2-4-8-15;25-12-6-2-5-11-20-19(26)24-17-10-9-15-18(23-17)22-16(13-21-15)14-7-3-1-4-8-14;1-3-20-18(26)24-15-8-7-13-16(23-15)22-14(10-21-13)11-5-4-6-12(9-11)17(25)19-2;1-4-19-18(25)22-15-10-9-14-17(21-15)23-16(11-20-14)24(3)13-7-5-12(2)6-8-13;19-10-4-5-11-20-18(25)24-16-9-8-14-17(23-16)22-15(12-21-14)13-6-2-1-3-7-13;1-4-19-18(24)23-16-8-6-13-17(22-16)21-14(10-20-13)12-9-11(2)5-7-15(12)25-3;24-11-5-4-10-19-18(25)23-16-9-8-14-17(22-16)21-15(12-20-14)13-6-2-1-3-7-13;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)12-6-4-11(2)5-7-12;;/h3-13,15H,2,14H2,1H3,(H,27,31)(H2,25,28,29,30,32);3,5-6,9-12,17H,2,4,7-8,13-16H2,1H3,(H,24,30);2-4,7-10,13H,5-6,11-12H2,1H3,(H2,21,23,24,25,27);1,3-4,7-10,13,25H,2,5-6,11-12H2,(H2,20,22,23,24,26);4-10H,3H2,1-2H3,(H,19,25)(H2,20,22,23,24,26);5-11H,4H2,1-3H3,(H2,19,21,22,23,25);1-3,6-9,12H,4-5,10-11,19H2,(H2,20,22,23,24,25);5-10H,4H2,1-3H3,(H2,19,21,22,23,24);1-3,6-9,12,24H,4-5,10-11H2,(H2,19,21,22,23,25);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2*1H
InChIKeyIRLYENJIDHXSFT-UHFFFAOYSA-N
MW3640.05 g/mol
LogP31.57
Rot. Bonds53

About 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride

1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride (PubChem CID 158266217) has the molecular formula C193H207Cl2N55O17 and a molecular weight of 3640.05 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride
PubChem CID158266217
Molecular FormulaC193H207Cl2N55O17
Molecular Weight3640.05 g/mol
Exact Mass3636.64
IUPAC Name1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride
SMILESCC(=O)OCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)N(CCN1CCCCC1)c1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cc(C)ccc3OC)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(C)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)NC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(N(C)c3ccc(C)cc3)nc2n1.Cl.Cl.NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C24H22N6O2.C23H28N6O.C20H21N5O3.C19H21N5O2.C18H18N6O2.2C18H20N6O.2C18H19N5O2.C17H17N5O.2ClH/c1-2-25-24(32)30-21-13-12-19-23(29-21)28-20(15-26-19)17-8-10-18(11-9-17)27-22(31)14-16-6-4-3-5-7-16;1-2-24-23(30)29(16-15-28-13-7-4-8-14-28)21-12-11-19-22(27-21)26-20(17-25-19)18-9-5-3-6-10-18;1-14(26)28-12-6-5-11-21-20(27)25-18-10-9-16-19(24-18)23-17(13-22-16)15-7-3-2-4-8-15;25-12-6-2-5-11-20-19(26)24-17-10-9-15-18(23-17)22-16(13-21-15)14-7-3-1-4-8-14;1-3-20-18(26)24-15-8-7-13-16(23-15)22-14(10-21-13)11-5-4-6-12(9-11)17(25)19-2;1-4-19-18(25)22-15-10-9-14-17(21-15)23-16(11-20-14)24(3)13-7-5-12(2)6-8-13;19-10-4-5-11-20-18(25)24-16-9-8-14-17(23-16)22-15(12-21-14)13-6-2-1-3-7-13;1-4-19-18(24)23-16-8-6-13-17(22-16)21-14(10-20-13)12-9-11(2)5-7-15(12)25-3;24-11-5-4-10-19-18(25)23-16-9-8-14-17(22-16)21-15(12-20-14)13-6-2-1-3-7-13;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)12-6-4-11(2)5-7-12;;/h3-13,15H,2,14H2,1H3,(H,27,31)(H2,25,28,29,30,32);3,5-6,9-12,17H,2,4,7-8,13-16H2,1H3,(H,24,30);2-4,7-10,13H,5-6,11-12H2,1H3,(H2,21,23,24,25,27);1,3-4,7-10,13,25H,2,5-6,11-12H2,(H2,20,22,23,24,26);4-10H,3H2,1-2H3,(H,19,25)(H2,20,22,23,24,26);5-11H,4H2,1-3H3,(H2,19,21,22,23,25);1-3,6-9,12H,4-5,10-11,19H2,(H2,20,22,23,24,25);5-10H,4H2,1-3H3,(H2,19,21,22,23,24);1-3,6-9,12,24H,4-5,10-11H2,(H2,19,21,22,23,25);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2*1H
InChIKeyIRLYENJIDHXSFT-UHFFFAOYSA-N
XLogP31.57
TPSA955.90 Ų
H-Bond Donors24
H-Bond Acceptors50
Rotatable Bonds53
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003640.05
LogP ≤ 531.57
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride with MolForge

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Related Compounds

1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-ethyl-3-[3-[3-ethyl-4-(3-morpholin-4-ylpropoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea
CID 70936084
4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate
CID 142764045
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
CID 16727165
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
N-[4-(6-methyl-4-phenylquinolin-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 24685354
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride?
The IUPAC name of 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride (CID 158266217) is 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride.
What is the SMILES notation for 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride?
The canonical SMILES for 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride is CC(=O)OCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)N(CCN1CCCCC1)c1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cc(C)ccc3OC)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(C)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)NC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(N(C)c3ccc(C)cc3)nc2n1.Cl.Cl.NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(NCCCCO)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride?
The InChIKey is IRLYENJIDHXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.C23H28N6O.C20H21N5O3.C19H21N5O2.C18H18N6O2.2C18H20N6O.2C18H19N5O2.C17H17N5O.2ClH/c1-2-25-24(32)30-21-13-12-19-23(29-21)28-20(15-26-19)17-8-10-18(11-9-17)27-22(31)14-16-6-4-3-5-7-16;1-2-24-23(30)29(16-15-28-13-7-4-8-14-28)21-12-11-19-22(27-21)26-20(17-25-19)18-9-5-3-6-10-18;1-14(26)28-12-6-5-11-21-20(27)25-18-10-9-16-19(24-18)23-17(13-22-16)15-7-3-2-4-8-15;25-12-6-2-5-11-20-19(26)24-17-10-9-15-18(23-17)22-16(13-21-15)14-7-3-1-4-8-14;1-3-20-18(26)24-15-8-7-13-16(23-15)22-14(10-21-13)11-5-4-6-12(9-11)17(25)19-2;1-4-19-18(25)22-15-10-9-14-17(21-15)23-16(11-20-14)24(3)13-7-5-12(2)6-8-13;19-10-4-5-11-20-18(25)24-16-9-8-14-17(23-16)22-15(12-21-14)13-6-2-1-3-7-13;1-4-19-18(24)23-16-8-6-13-17(22-16)21-14(10-20-13)12-9-11(2)5-7-15(12)25-3;24-11-5-4-10-19-18(25)23-16-9-8-14-17(22-16)21-15(12-20-14)13-6-2-1-3-7-13;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)12-6-4-11(2)5-7-12;;/h3-13,15H,2,14H2,1H3,(H,27,31)(H2,25,28,29,30,32);3,5-6,9-12,17H,2,4,7-8,13-16H2,1H3,(H,24,30);2-4,7-10,13H,5-6,11-12H2,1H3,(H2,21,23,24,25,27);1,3-4,7-10,13,25H,2,5-6,11-12H2,(H2,20,22,23,24,26);4-10H,3H2,1-2H3,(H,19,25)(H2,20,22,23,24,26);5-11H,4H2,1-3H3,(H2,19,21,22,23,25);1-3,6-9,12H,4-5,10-11,19H2,(H2,20,22,23,24,25);5-10H,4H2,1-3H3,(H2,19,21,22,23,24);1-3,6-9,12,24H,4-5,10-11H2,(H2,19,21,22,23,25);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2*1H.
What are the key properties of 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride?
1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride has a molecular weight of 3640.05 g/mol, XLogP of 31.57, 53 rotatable bonds, 24 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(N,4-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-N-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-phenylacetamide;1-ethyl-3-[3-(2-methoxy-5-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;3-ethyl-1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-1-(2-piperidin-1-ylethyl)urea;1-(4-hydroxybutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(5-hydroxypentyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl acetate;dihydrochloride is sourced from PubChem (CID 158266217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).