5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine

C₉₂H₁₂₂Cl₃N₂₅O₈ — CID 158616373

About 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine

5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine (PubChem CID 158616373) has the molecular formula C₉₂H₁₂₂Cl₃N₂₅O₈ and a molecular weight of 1812.51 g/mol. Its IUPAC name is 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine.

Molecular Properties

• Compound Name: 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine
• PubChem CID: 158616373
• Molecular Formula: C₉₂H₁₂₂Cl₃N₂₅O₈
• Molecular Weight: 1812.51 g/mol
• Exact Mass: 1809.90
• IUPAC Name: 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine
• SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Cl)cc3ncccc13)C2.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1.Clc1cc2ncccc2c(Cl)n1.[H]/N=C(N)/C=C(/C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H31N7O2.C20H25ClN4O2.C19H23N7.C12H22N2O2.C9H17N3O2.C8H4Cl2N2/c1-14-10-21(30-29-14)27-20-13-19-18(6-5-9-25-19)22(28-20)26-15-11-16-7-8-17(12-15)31(16)23(32)33-24(2,3)4;1-20(2,3)27-19(26)25-13-6-7-14(25)10-12(9-13)23-18-15-5-4-8-22-16(15)11-17(21)24-18;1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;1-6(5-7(10)11)12-8(13)14-9(2,3)4;9-7-4-6-5(8(10)12-7)2-1-3-11-6/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H3,26,27,28,29,30);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,23,24);2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);8-10H,4-7,13H2,1-3H3;5H,1-4H3,(H3,10,11)(H,12,13);1-4H/b;;;;6-5-;/t15?,16-,17+;12?,13-,14+;12-,13+,14?;8?,9-,10+
• InChIKey: HXLBJMQBAVKNEJ-RNUKGYIESA-N
• XLogP: 18.64
• TPSA: 435.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.51
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine?

The IUPAC name of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine (CID 158616373) is 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine.

What is the SMILES notation for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine?

The canonical SMILES for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Cl)cc3ncccc13)C2.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1.Clc1cc2ncccc2c(Cl)n1.[H]/N=C(N)/C=C(/C)NC(=O)OC(C)(C)C.

What is the InChIKey of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine?

The InChIKey is HXLBJMQBAVKNEJ-RNUKGYIESA-N. The full InChI is InChI=1S/C24H31N7O2.C20H25ClN4O2.C19H23N7.C12H22N2O2.C9H17N3O2.C8H4Cl2N2/c1-14-10-21(30-29-14)27-20-13-19-18(6-5-9-25-19)22(28-20)26-15-11-16-7-8-17(12-15)31(16)23(32)33-24(2,3)4;1-20(2,3)27-19(26)25-13-6-7-14(25)10-12(9-13)23-18-15-5-4-8-22-16(15)11-17(21)24-18;1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;1-6(5-7(10)11)12-8(13)14-9(2,3)4;9-7-4-6-5(8(10)12-7)2-1-3-11-6/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H3,26,27,28,29,30);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,23,24);2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);8-10H,4-7,13H2,1-3H3;5H,1-4H3,(H3,10,11)(H,12,13);1-4H/b;;;;6-5-;/t15?,16-,17+;12?,13-,14+;12-,13+,14?;8?,9-,10+;;.

What are the key properties of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine?

5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine has a molecular weight of 1812.51 g/mol, XLogP of 18.64, 12 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(Z)-4-amino-4-iminobut-2-en-2-yl]carbamate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine is sourced from PubChem (CID 158616373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158616373 — identifiers, structure, computed properties (public domain)

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