7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride

C78H105Cl3N16O20 — CID 158272436

About 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride

7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride (PubChem CID 158272436) has the molecular formula C78H105Cl3N16O20 and a molecular weight of 1693.15 g/mol. Its IUPAC name is 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride
• PubChem CID: 158272436
• Molecular Formula: C78H105Cl3N16O20
• Molecular Weight: 1693.15 g/mol
• Exact Mass: 1690.68
• IUPAC Name: 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride
• SMILES: CC(C)N1CC(=O)Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc21.CC(C)N1CC(=O)Nc2cc(CO)cnc21.CCOC(=O)CCC(C)C.CCOC(=O)CN.CCOC(=O)CN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C(C)C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)NC(=O)CN2C(C)C.Cl
• InChI: InChI=1S/C22H25ClN4O.C14H19N3O6.C12H15N3O3.C11H15N3O2.C8H16O2.C7H5ClN2O4.C4H9NO2.ClH/c1-15(2)27-14-21(28)25-20-11-16(12-24-22(20)27)13-26-9-7-18(8-10-26)17-3-5-19(23)6-4-17;1-5-23-12(18)8-16(9(2)3)13-11(17(20)21)6-10(7-15-13)14(19)22-4;1-7(2)15-6-10(16)14-9-4-8(12(17)18-3)5-13-11(9)15;1-7(2)14-5-10(16)13-9-3-8(6-15)4-12-11(9)14;1-4-10-8(9)6-5-7(2)3;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-2-7-4(6)3-5;/h3-7,11-12,15H,8-10,13-14H2,1-2H3,(H,25,28);6-7,9H,5,8H2,1-4H3;4-5,7H,6H2,1-3H3,(H,14,16);3-4,7,15H,5-6H2,1-2H3,(H,13,16);7H,4-6H2,1-3H3;2-3H,1H3;2-3,5H2,1H3;1H
• InChIKey: SFRQLNZNQVBJEQ-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 458.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.15
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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'}

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride?

The IUPAC name of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride (CID 158272436) is 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride.

What is the SMILES notation for 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride?

The canonical SMILES for 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride is CC(C)N1CC(=O)Nc2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc21.CC(C)N1CC(=O)Nc2cc(CO)cnc21.CCOC(=O)CCC(C)C.CCOC(=O)CN.CCOC(=O)CN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C(C)C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)NC(=O)CN2C(C)C.Cl.

What is the InChIKey of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride?

The InChIKey is SFRQLNZNQVBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O.C14H19N3O6.C12H15N3O3.C11H15N3O2.C8H16O2.C7H5ClN2O4.C4H9NO2.ClH/c1-15(2)27-14-21(28)25-20-11-16(12-24-22(20)27)13-26-9-7-18(8-10-26)17-3-5-19(23)6-4-17;1-5-23-12(18)8-16(9(2)3)13-11(17(20)21)6-10(7-15-13)14(19)22-4;1-7(2)15-6-10(16)14-9-4-8(12(17)18-3)5-13-11(9)15;1-7(2)14-5-10(16)13-9-3-8(6-15)4-12-11(9)14;1-4-10-8(9)6-5-7(2)3;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-2-7-4(6)3-5;/h3-7,11-12,15H,8-10,13-14H2,1-2H3,(H,25,28);6-7,9H,5,8H2,1-4H3;4-5,7H,6H2,1-3H3,(H,14,16);3-4,7,15H,5-6H2,1-2H3,(H,13,16);7H,4-6H2,1-3H3;2-3H,1H3;2-3,5H2,1H3;1H.

What are the key properties of 7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride?

7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride has a molecular weight of 1693.15 g/mol, XLogP of 10.87, 23 rotatable bonds, 5 hydrogen bond donors, and 31 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-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride is sourced from PubChem (CID 158272436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).