3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile

C109H105BBrN21O7 — CID 157317442

About 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile

3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile (PubChem CID 157317442) has the molecular formula C109H105BBrN21O7 and a molecular weight of 1911.89 g/mol. Its IUPAC name is 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile
• PubChem CID: 157317442
• Molecular Formula: C109H105BBrN21O7
• Molecular Weight: 1911.89 g/mol
• Exact Mass: 1909.78
• IUPAC Name: 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4)c2C#N)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(=O)OC(C)(C)C)c2C#N)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)cc2ccccc21.Cn1c(-c2cncc(Br)c2C#N)cc2ccccc21
• InChI: InChI=1S/C28H27N5O2.C24H20N6O.C23H19N5.C19H29BN2O4.C15H10BrN3/c1-28(2,3)35-27(34)33-11-7-9-19-12-20(15-31-26(19)33)22-16-30-17-23(21(22)14-29)25-13-18-8-5-6-10-24(18)32(25)4;1-29-21-7-3-2-5-15(21)10-22(29)20-14-27-13-19(18(20)11-25)17-9-16-6-4-8-30(24(26)31)23(16)28-12-17;1-28-21-7-3-2-5-15(21)10-22(28)20-14-25-13-19(18(20)11-24)17-9-16-6-4-8-26-23(16)27-12-17;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-19-14-5-3-2-4-10(14)6-15(19)12-8-18-9-13(16)11(12)7-17/h5-6,8,10,12-13,15-17H,7,9,11H2,1-4H3;2-3,5,7,9-10,12-14H,4,6,8H2,1H3,(H2,26,31);2-3,5,7,9-10,12-14H,4,6,8H2,1H3,(H,26,27);11-12H,8-10H2,1-7H3;2-6,8-9H,1H3
• InChIKey: BDTRQPYJEVWLSH-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 353.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.89
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile?

The IUPAC name of 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile (CID 157317442) is 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile.

What is the SMILES notation for 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile?

The canonical SMILES for 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile is CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4)c2C#N)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(=O)OC(C)(C)C)c2C#N)cc2ccccc21.Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)cc2ccccc21.Cn1c(-c2cncc(Br)c2C#N)cc2ccccc21.

What is the InChIKey of 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile?

The InChIKey is BDTRQPYJEVWLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2.C24H20N6O.C23H19N5.C19H29BN2O4.C15H10BrN3/c1-28(2,3)35-27(34)33-11-7-9-19-12-20(15-31-26(19)33)22-16-30-17-23(21(22)14-29)25-13-18-8-5-6-10-24(18)32(25)4;1-29-21-7-3-2-5-15(21)10-22(29)20-14-27-13-19(18(20)11-25)17-9-16-6-4-8-30(24(26)31)23(16)28-12-17;1-28-21-7-3-2-5-15(21)10-22(28)20-14-25-13-19(18(20)11-24)17-9-16-6-4-8-26-23(16)27-12-17;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-19-14-5-3-2-4-10(14)6-15(19)12-8-18-9-13(16)11(12)7-17/h5-6,8,10,12-13,15-17H,7,9,11H2,1-4H3;2-3,5,7,9-10,12-14H,4,6,8H2,1H3,(H2,26,31);2-3,5,7,9-10,12-14H,4,6,8H2,1H3,(H,26,27);11-12H,8-10H2,1-7H3;2-6,8-9H,1H3.

What are the key properties of 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile?

3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile has a molecular weight of 1911.89 g/mol, XLogP of 21.34, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(1-methylindol-2-yl)pyridine-4-carbonitrile;tert-butyl 6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-cyano-5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-(1-methylindol-2-yl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 157317442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).