tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride

C146H153BCl10N30O16 — CID 157368533

About tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride

tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride (PubChem CID 157368533) has the molecular formula C146H153BCl10N30O16 and a molecular weight of 2949.37 g/mol. Its IUPAC name is tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride
• PubChem CID: 157368533
• Molecular Formula: C146H153BCl10N30O16
• Molecular Weight: 2949.37 g/mol
• Exact Mass: 2942.91
• IUPAC Name: tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(Cl)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(Cl)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccccc1B(O)O.Cc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(Cl)nc21
• InChI: InChI=1S/C32H31ClN6O2.C27H30Cl2N6O3.2C25H24Cl2N6O2.C18H14Cl2N4O2.C9H18N2O2.C7H9BO2.C3H3ClO/c1-6-26(40)37-13-15-38(16-14-37)30-23-17-25(33)28(22-10-8-7-9-20(22)4)36-31(23)39(32(41)24(30)18-34)29-21(5)11-12-35-27(29)19(2)3;1-15(2)20-21(16(3)7-8-31-20)35-24-17(13-19(28)23(29)32-24)22(18(14-30)25(35)36)33-9-11-34(12-10-33)26(37)38-27(4,5)6;2*1-5-19(34)31-8-10-32(11-9-31)22-16-12-18(26)23(27)30-24(16)33(25(35)17(22)13-28)21-15(4)6-7-29-20(21)14(2)3;1-8(2)13-14(9(3)4-5-22-13)24-17-10(6-12(19)16(20)23-17)15(25)11(7-21)18(24)26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6-4-2-3-5-7(6)8(9)10;1-2-3(4)5/h6-12,17,19H,1,13-16H2,2-5H3;7-8,13,15H,9-12H2,1-6H3;2*5-7,12,14H,1,8-11H2,2-4H3;4-6,8,25H,1-3H3;10H,4-7H2,1-3H3;2-5,9-10H,1H3;2H,1H2
• InChIKey: BJMAPEMXNCJUQW-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 580.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 20
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2949.37
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride?

The IUPAC name of tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride (CID 157368533) is tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride.

What is the SMILES notation for tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride?

The canonical SMILES for tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(Cl)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(Cl)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccccc1B(O)O.Cc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(Cl)nc21.

What is the InChIKey of tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride?

The InChIKey is BJMAPEMXNCJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN6O2.C27H30Cl2N6O3.2C25H24Cl2N6O2.C18H14Cl2N4O2.C9H18N2O2.C7H9BO2.C3H3ClO/c1-6-26(40)37-13-15-38(16-14-37)30-23-17-25(33)28(22-10-8-7-9-20(22)4)36-31(23)39(32(41)24(30)18-34)29-21(5)11-12-35-27(29)19(2)3;1-15(2)20-21(16(3)7-8-31-20)35-24-17(13-19(28)23(29)32-24)22(18(14-30)25(35)36)33-9-11-34(12-10-33)26(37)38-27(4,5)6;2*1-5-19(34)31-8-10-32(11-9-31)22-16-12-18(26)23(27)30-24(16)33(25(35)17(22)13-28)21-15(4)6-7-29-20(21)14(2)3;1-8(2)13-14(9(3)4-5-22-13)24-17-10(6-12(19)16(20)23-17)15(25)11(7-21)18(24)26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6-4-2-3-5-7(6)8(9)10;1-2-3(4)5/h6-12,17,19H,1,13-16H2,2-5H3;7-8,13,15H,9-12H2,1-6H3;2*5-7,12,14H,1,8-11H2,2-4H3;4-6,8,25H,1-3H3;10H,4-7H2,1-3H3;2-5,9-10H,1H3;2H,1H2.

What are the key properties of tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride?

tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride has a molecular weight of 2949.37 g/mol, XLogP of 24.98, 20 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6,7-dichloro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile;bis(6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);(2-methylphenyl)boronic acid;prop-2-enoyl chloride is sourced from PubChem (CID 157368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).