tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid

C105H112N14O13 — CID 161217694

IUPACtert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(=O)c1cnc2nc(-c3ccccc3)c(CCCCC(=O)OC(C)(C)C)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2cc(C(=O)O)cnc2nc1-c1ccccc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)O)nc3c2)cc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)OC(C)(C)C)nc3c2)cc1
InChIInChI=1S/C31H34N4O3.C27H26N4O3.C24H27N3O3.C23H25N3O4/c1-21-14-16-22(17-15-21)19-33-30(37)24-18-26-29(32-20-24)35-28(23-10-6-5-7-11-23)25(34-26)12-8-9-13-27(36)38-31(2,3)4;1-18-11-13-19(14-12-18)16-29-27(34)21-15-23-26(28-17-21)31-25(20-7-3-2-4-8-20)22(30-23)9-5-6-10-24(32)33;1-16(28)18-14-20-23(25-15-18)27-22(17-10-6-5-7-11-17)19(26-20)12-8-9-13-21(29)30-24(2,3)4;1-23(2,3)30-19(27)12-8-7-11-17-20(15-9-5-4-6-10-15)26-21-18(25-17)13-16(14-24-21)22(28)29/h5-7,10-11,14-18,20H,8-9,12-13,19H2,1-4H3,(H,33,37);2-4,7-8,11-15,17H,5-6,9-10,16H2,1H3,(H,29,34)(H,32,33);5-7,10-11,14-15H,8-9,12-13H2,1-4H3;4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,28,29)
InChIKeyUXBYSWMBBKZLEE-UHFFFAOYSA-N
MW1778.14 g/mol
LogP20.11
Rot. Bonds32

About tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid

tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 161217694) has the molecular formula C105H112N14O13 and a molecular weight of 1778.14 g/mol. Its IUPAC name is tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID161217694
Molecular FormulaC105H112N14O13
Molecular Weight1778.14 g/mol
Exact Mass1776.85
IUPAC Nametert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(=O)c1cnc2nc(-c3ccccc3)c(CCCCC(=O)OC(C)(C)C)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2cc(C(=O)O)cnc2nc1-c1ccccc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)O)nc3c2)cc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)OC(C)(C)C)nc3c2)cc1
InChIInChI=1S/C31H34N4O3.C27H26N4O3.C24H27N3O3.C23H25N3O4/c1-21-14-16-22(17-15-21)19-33-30(37)24-18-26-29(32-20-24)35-28(23-10-6-5-7-11-23)25(34-26)12-8-9-13-27(36)38-31(2,3)4;1-18-11-13-19(14-12-18)16-29-27(34)21-15-23-26(28-17-21)31-25(20-7-3-2-4-8-20)22(30-23)9-5-6-10-24(32)33;1-16(28)18-14-20-23(25-15-18)27-22(17-10-6-5-7-11-17)19(26-20)12-8-9-13-21(29)30-24(2,3)4;1-23(2,3)30-19(27)12-8-7-11-17-20(15-9-5-4-6-10-15)26-21-18(25-17)13-16(14-24-21)22(28)29/h5-7,10-11,14-18,20H,8-9,12-13,19H2,1-4H3,(H,33,37);2-4,7-8,11-15,17H,5-6,9-10,16H2,1H3,(H,29,34)(H,32,33);5-7,10-11,14-15H,8-9,12-13H2,1-4H3;4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,28,29)
InChIKeyUXBYSWMBBKZLEE-UHFFFAOYSA-N
XLogP20.11
TPSA383.45 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.14
LogP ≤ 520.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 5-[3-phenyl-7-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrido[2,3-b]pyrazin-2-yl]pentanoate
CID 68065386
1-[3-(Cyclopropylmethyl)-5-(3,5-difluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[3-(cyclopropylmethyl)-5-(3-fluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-[(5-cyclopropyl-3-pyridinyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-[3-(1,1-difluoroethyl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 157871894
8-amino-N-(azetidin-3-yl)-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide;8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylic acid;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]amino]azetidine-1-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 157953703
5-Anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;1-[5-anilino-3-(4-morpholin-4-ylbutyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 158420218
5-Anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 158869537
7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 158883004
5-Anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;1-[5-anilino-3-(4-morpholin-4-ylbutyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-anilino-3-(propylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 159681720
1-(5-anilino-3-benzylpyrimido[4,5-c]quinolin-8-yl)ethanone;1-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;5-(4-fluoro-3-methylanilino)-3-[(5-methyl-2H-pyrrol-3-yl)methyl]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-3-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(4-fluoro-3-methylanilino)-3-(2-pyridin-4-ylethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 159702360
1-fluoro-4-isocyano-2-(trifluoromethyl)benzene;4-isocyano-1-methyl-2-(trifluoromethyl)benzene;2-methyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-1,8-naphthyridine-3-carboxylic acid;[4-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 160068273
5-(Cyclopropylamino)-3-[2-(oxolan-2-yl)ethyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(cyclopropylamino)-3-(4-propan-2-yloxybutyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxamide
CID 160398450
5-(Cyclopropylamino)-3-(4-ethoxybutyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;1-[3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]propan-1-one;2-cyclopropyl-1-[3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinolin-8-yl]ethanone
CID 160881727
6-[2-Carboxy-1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid
CID 10643679

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid (CID 161217694) is tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid is CC(=O)c1cnc2nc(-c3ccccc3)c(CCCCC(=O)OC(C)(C)C)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2cc(C(=O)O)cnc2nc1-c1ccccc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)O)nc3c2)cc1.Cc1ccc(CNC(=O)c2cnc3nc(-c4ccccc4)c(CCCCC(=O)OC(C)(C)C)nc3c2)cc1.
What is the InChIKey of tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UXBYSWMBBKZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3.C27H26N4O3.C24H27N3O3.C23H25N3O4/c1-21-14-16-22(17-15-21)19-33-30(37)24-18-26-29(32-20-24)35-28(23-10-6-5-7-11-23)25(34-26)12-8-9-13-27(36)38-31(2,3)4;1-18-11-13-19(14-12-18)16-29-27(34)21-15-23-26(28-17-21)31-25(20-7-3-2-4-8-20)22(30-23)9-5-6-10-24(32)33;1-16(28)18-14-20-23(25-15-18)27-22(17-10-6-5-7-11-17)19(26-20)12-8-9-13-21(29)30-24(2,3)4;1-23(2,3)30-19(27)12-8-7-11-17-20(15-9-5-4-6-10-15)26-21-18(25-17)13-16(14-24-21)22(28)29/h5-7,10-11,14-18,20H,8-9,12-13,19H2,1-4H3,(H,33,37);2-4,7-8,11-15,17H,5-6,9-10,16H2,1H3,(H,29,34)(H,32,33);5-7,10-11,14-15H,8-9,12-13H2,1-4H3;4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,28,29).
What are the key properties of tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid?
tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1778.14 g/mol, XLogP of 20.11, 32 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(7-acetyl-3-phenylpyrido[2,3-b]pyrazin-2-yl)pentanoate;tert-butyl 5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoate;5-[7-[(4-methylphenyl)methylcarbamoyl]-3-phenylpyrido[2,3-b]pyrazin-2-yl]pentanoic acid;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylpyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 161217694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).