N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

C113H88FN25S2 — CID 165076840

About N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 165076840) has the molecular formula C113H88FN25S2 and a molecular weight of 1879.25 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• PubChem CID: 165076840
• Molecular Formula: C113H88FN25S2
• Molecular Weight: 1879.25 g/mol
• Exact Mass: 1877.71
• IUPAC Name: N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• SMILES: CC(C)(C)c1cc2cc(Nc3nc(-c4ccncc4)cc4ncccc34)ccc2[nH]1.CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)cc4ncccc34)cc2s1.Fc1cc(Nc2nc(-c3ccncc3)cc3ncccc23)cc2cc[nH]c12.c1cnc2cc(-c3ccncc3)nc(Nc3ccc4[nH]ccc4c3)c2c1.c1cnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
• InChI: InChI=1S/C25H23N5.C23H17N5S.C23H19N5S.C21H14FN5.C21H15N5/c1-25(2,3)23-14-17-13-18(6-7-20(17)29-23)28-24-19-5-4-10-27-22(19)15-21(30-24)16-8-11-26-12-9-16;1-2-17-20(25-9-1)13-19(14-7-10-24-11-8-14)27-22(17)26-16-5-6-18-21(12-16)29-23(28-18)15-3-4-15;1-14(2)23-28-18-6-5-16(12-21(18)29-23)26-22-17-4-3-9-25-20(17)13-19(27-22)15-7-10-24-11-8-15;22-17-11-15(10-14-5-9-25-20(14)17)26-21-16-2-1-6-24-19(16)12-18(27-21)13-3-7-23-8-4-13;1-2-17-20(23-8-1)13-19(14-5-9-22-10-6-14)26-21(17)25-16-3-4-18-15(12-16)7-11-24-18/h4-15,29H,1-3H3,(H,28,30);1-2,5-13,15H,3-4H2,(H,26,27);3-14H,1-2H3,(H,26,27);1-12,25H,(H,26,27);1-13,24H,(H,25,26)
• InChIKey: ULGYLNYGPVKXQB-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 326.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1879.25
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (CID 165076840) is N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is CC(C)(C)c1cc2cc(Nc3nc(-c4ccncc4)cc4ncccc34)ccc2[nH]1.CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)cc4ncccc34)cc2s1.Fc1cc(Nc2nc(-c3ccncc3)cc3ncccc23)cc2cc[nH]c12.c1cnc2cc(-c3ccncc3)nc(Nc3ccc4[nH]ccc4c3)c2c1.c1cnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.

What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The InChIKey is ULGYLNYGPVKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5.C23H17N5S.C23H19N5S.C21H14FN5.C21H15N5/c1-25(2,3)23-14-17-13-18(6-7-20(17)29-23)28-24-19-5-4-10-27-22(19)15-21(30-24)16-8-11-26-12-9-16;1-2-17-20(25-9-1)13-19(14-7-10-24-11-8-14)27-22(17)26-16-5-6-18-21(12-16)29-23(28-18)15-3-4-15;1-14(2)23-28-18-6-5-16(12-21(18)29-23)26-22-17-4-3-9-25-20(17)13-19(27-22)15-7-10-24-11-8-15;22-17-11-15(10-14-5-9-25-20(14)17)26-21-16-2-1-6-24-19(16)12-18(27-21)13-3-7-23-8-4-13;1-2-17-20(23-8-1)13-19(14-5-9-22-10-6-14)26-21(17)25-16-3-4-18-15(12-16)7-11-24-18/h4-15,29H,1-3H3,(H,28,30);1-2,5-13,15H,3-4H2,(H,26,27);3-14H,1-2H3,(H,26,27);1-12,25H,(H,26,27);1-13,24H,(H,25,26).

What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 1879.25 g/mol, XLogP of 28.28, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-propan-2-yl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165076840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).