N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

C124H101BrClN27O2S6 — CID 165086292

About N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 165086292) has the molecular formula C124H101BrClN27O2S6 and a molecular weight of 2309.12 g/mol. Its IUPAC name is N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• PubChem CID: 165086292
• Molecular Formula: C124H101BrClN27O2S6
• Molecular Weight: 2309.12 g/mol
• Exact Mass: 2305.58
• IUPAC Name: N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• SMILES: Brc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.CC(C)S(=O)(=O)c1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.CN(C)c1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.Clc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.c1ccc(-c2cc3nccc(N4CCCC4)c3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1
• InChI: InChI=1S/C27H24N6S.C26H23N5O2S2.C25H22N6S.C23H16BrN5S.C23H16ClN5S/c1-2-11-28-19(5-1)21-16-22-25(23(10-12-29-22)33-13-3-4-14-33)26(31-21)30-18-8-9-20-24(15-18)34-27(32-20)17-6-7-17;1-15(2)35(32,33)23-10-12-28-21-14-20(18-5-3-4-11-27-18)30-25(24(21)23)29-17-8-9-19-22(13-17)34-26(31-19)16-6-7-16;1-31(2)21-10-12-27-20-14-19(17-5-3-4-11-26-17)29-24(23(20)21)28-16-8-9-18-22(13-16)32-25(30-18)15-6-7-15;2*24-15-8-10-26-19-12-18(16-3-1-2-9-25-16)28-22(21(15)19)27-14-6-7-17-20(11-14)30-23(29-17)13-4-5-13/h1-2,5,8-12,15-17H,3-4,6-7,13-14H2,(H,30,31);3-5,8-16H,6-7H2,1-2H3,(H,29,30);3-5,8-15H,6-7H2,1-2H3,(H,28,29);2*1-3,6-13H,4-5H2,(H,27,28)
• InChIKey: VYRQXGKMIQHHBU-UHFFFAOYSA-N
• XLogP: 31.88
• TPSA: 358.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.12
LogP ≤ 5	31.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The IUPAC name of N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (CID 165086292) is N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

What is the SMILES notation for N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The canonical SMILES for N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is Brc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.CC(C)S(=O)(=O)c1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.CN(C)c1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.Clc1ccnc2cc(-c3ccccn3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12.c1ccc(-c2cc3nccc(N4CCCC4)c3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.

What is the InChIKey of N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The InChIKey is VYRQXGKMIQHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6S.C26H23N5O2S2.C25H22N6S.C23H16BrN5S.C23H16ClN5S/c1-2-11-28-19(5-1)21-16-22-25(23(10-12-29-22)33-13-3-4-14-33)26(31-21)30-18-8-9-20-24(15-18)34-27(32-20)17-6-7-17;1-15(2)35(32,33)23-10-12-28-21-14-20(18-5-3-4-11-27-18)30-25(24(21)23)29-17-8-9-19-22(13-17)34-26(31-19)16-6-7-16;1-31(2)21-10-12-27-20-14-19(17-5-3-4-11-26-17)29-24(23(20)21)28-16-8-9-18-22(13-16)32-25(30-18)15-6-7-15;2*24-15-8-10-26-19-12-18(16-3-1-2-9-25-16)28-22(21(15)19)27-14-6-7-17-20(11-14)30-23(29-17)13-4-5-13/h1-2,5,8-12,15-17H,3-4,6-7,13-14H2,(H,30,31);3-5,8-16H,6-7H2,1-2H3,(H,29,30);3-5,8-15H,6-7H2,1-2H3,(H,28,29);2*1-3,6-13H,4-5H2,(H,27,28).

What are the key properties of N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 2309.12 g/mol, XLogP of 31.88, 24 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;N-(4-chloro-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2-cyclopropyl-1,3-benzothiazol-6-amine;5-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-N,4-N-dimethyl-7-pyridin-2-yl-1,6-naphthyridine-4,5-diamine;2-cyclopropyl-N-(4-propan-2-ylsulfonyl-7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-4-pyrrolidin-1-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165086292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).