7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid

C62H69Cl2N15O19 — CID 158078646

IUPAC7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCCCC(=O)OC.CN1CC(=O)Nc2cc(C(=O)O)cnc21.CN1CC(=O)Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc21.COC(=O)CN(C)c1ncc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)NC(=O)CN2C
InChIInChI=1S/C20H21ClN4O.C11H13N3O6.C10H11N3O3.C9H9N3O3.C7H5ClN2O4.C5H10O2/c1-24-13-19(26)23-18-10-14(11-22-20(18)24)12-25-8-6-16(7-9-25)15-2-4-17(21)5-3-15;1-13(6-9(15)19-2)10-8(14(17)18)4-7(5-12-10)11(16)20-3;1-13-5-8(14)12-7-3-6(10(15)16-2)4-11-9(7)13;1-12-4-7(13)11-6-2-5(9(14)15)3-10-8(6)12;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-3-4-5(6)7-2/h2-6,10-11H,7-9,12-13H2,1H3,(H,23,26);4-5H,6H2,1-3H3;3-4H,5H2,1-2H3,(H,12,14);2-3H,4H2,1H3,(H,11,13)(H,14,15);2-3H,1H3;3-4H2,1-2H3
InChIKeyFMRFJYVQIUULMA-UHFFFAOYSA-N
MW1399.23 g/mol
LogP6.61
Rot. Bonds14

About 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid

7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158078646) has the molecular formula C62H69Cl2N15O19 and a molecular weight of 1399.23 g/mol. Its IUPAC name is 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID158078646
Molecular FormulaC62H69Cl2N15O19
Molecular Weight1399.23 g/mol
Exact Mass1397.43
IUPAC Name7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCCCC(=O)OC.CN1CC(=O)Nc2cc(C(=O)O)cnc21.CN1CC(=O)Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc21.COC(=O)CN(C)c1ncc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)NC(=O)CN2C
InChIInChI=1S/C20H21ClN4O.C11H13N3O6.C10H11N3O3.C9H9N3O3.C7H5ClN2O4.C5H10O2/c1-24-13-19(26)23-18-10-14(11-22-20(18)24)12-25-8-6-16(7-9-25)15-2-4-17(21)5-3-15;1-13(6-9(15)19-2)10-8(14(17)18)4-7(5-12-10)11(16)20-3;1-13-5-8(14)12-7-3-6(10(15)16-2)4-11-9(7)13;1-12-4-7(13)11-6-2-5(9(14)15)3-10-8(6)12;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-3-4-5(6)7-2/h2-6,10-11H,7-9,12-13H2,1H3,(H,23,26);4-5H,6H2,1-3H3;3-4H,5H2,1-2H3,(H,12,14);2-3H,4H2,1H3,(H,11,13)(H,14,15);2-3H,1H3;3-4H2,1-2H3
InChIKeyFMRFJYVQIUULMA-UHFFFAOYSA-N
XLogP6.61
TPSA423.03 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.23
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

(3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methyl-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl (2R)-2,4-dimethylpentanoate;(2S)-6-(hydroxymethyl)-2-methyl-1-propan-2-yl-2,4-dihydro-1,8-naphthyridin-3-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl (7S)-7-methyl-6-oxo-8-propan-2-yl-5,7-dihydro-1,8-naphthyridine-3-carboxylate
CID 157100491
5-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-12-oxa-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;5-(hydroxymethyl)-12-oxa-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl morpholine-3-carboxylate;methyl 9-oxo-12-oxa-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxylate
CID 157258693
tert-butyl 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-9-oxo-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-12-carboxylate;tert-butyl 5-(hydroxymethyl)-9-oxo-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-12-carboxylate;12-O-tert-butyl 5-O-methyl 9-oxo-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5,12-dicarboxylate;5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-12-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;methane;methyl 6-chloro-5-nitropyridine-3-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 157270743
CID 157310825
CID 157310825
CID 157501245
CID 157501245
2-(aziridin-1-yl)-5-nitropyridine-3-carboxamide;2-chloro-3-methyl-5-nitropyridine;2-chloro-5-nitropyridine-3-carboxamide;2-chloro-5-nitropyridine-3-carboxylic acid;3-methyl-5-nitro-1H-pyridin-2-one;3-methylpyridin-2-amine
CID 157503149
CID 157562275
CID 157562275
7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;7-(hydroxymethyl)-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 157680449
CID 157716217
CID 157716217
6-amino-4-methyl-1H-quinolin-2-one;5-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(5-chloro-2-morpholin-4-ylpyridine-3-carboxylic acid);2,5-dichloropyridine-3-carboxylic acid;oxane
CID 157796366
CID 157817584
CID 157817584
CID 157828339
CID 157828339

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid (CID 158078646) is 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid is CCCC(=O)OC.CN1CC(=O)Nc2cc(C(=O)O)cnc21.CN1CC(=O)Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc21.COC(=O)CN(C)c1ncc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)NC(=O)CN2C.
What is the InChIKey of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is FMRFJYVQIUULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O.C11H13N3O6.C10H11N3O3.C9H9N3O3.C7H5ClN2O4.C5H10O2/c1-24-13-19(26)23-18-10-14(11-22-20(18)24)12-25-8-6-16(7-9-25)15-2-4-17(21)5-3-15;1-13(6-9(15)19-2)10-8(14(17)18)4-7(5-12-10)11(16)20-3;1-13-5-8(14)12-7-3-6(10(15)16-2)4-11-9(7)13;1-12-4-7(13)11-6-2-5(9(14)15)3-10-8(6)12;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-3-4-5(6)7-2/h2-6,10-11H,7-9,12-13H2,1H3,(H,23,26);4-5H,6H2,1-3H3;3-4H,5H2,1-2H3,(H,12,14);2-3H,4H2,1H3,(H,11,13)(H,14,15);2-3H,1H3;3-4H2,1-2H3.
What are the key properties of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid?
7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1399.23 g/mol, XLogP of 6.61, 14 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl butanoate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-methoxy-2-oxoethyl)-methylamino]-5-nitropyridine-3-carboxylate;methyl 4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158078646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).