1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea

C112H123N29O9S5 — CID 158073904

About 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea

1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 158073904) has the molecular formula C112H123N29O9S5 and a molecular weight of 2179.74 g/mol. Its IUPAC name is 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
• PubChem CID: 158073904
• Molecular Formula: C112H123N29O9S5
• Molecular Weight: 2179.74 g/mol
• Exact Mass: 2177.87
• IUPAC Name: 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
• SMILES: CN(C)CCCOc1cc2nccc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cn1.CN(C)CCCOc1ccc(-c2nc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)ccnc3o2)cc1.CN(C)CCCOc1ccc(-c2nc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)ccnc3s2)cc1.CN(C)CCCOc1ccc(-c2nc3nccc(NCCc4cnc(NC(=O)Nc5ccccc5)s4)c3[nH]2)cc1
• InChI: InChI=1S/C29H32N8O2S.C29H31N7O3S.C29H31N7O2S2.C25H29N7O2S/c1-37(2)17-6-18-39-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)35-26)30-15-13-23-19-32-29(40-23)36-28(38)33-21-7-4-3-5-8-21;1-36(2)17-6-18-38-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)39-26)30-15-13-23-19-32-29(40-23)35-28(37)33-21-7-4-3-5-8-21;1-36(2)17-6-18-38-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)40-26)30-15-13-23-19-32-29(39-23)35-28(37)33-21-7-4-3-5-8-21;1-32(2)13-6-14-34-23-15-22-20(17-28-23)21(10-12-27-22)26-11-9-19-16-29-25(35-19)31-24(33)30-18-7-4-3-5-8-18/h3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H2,30,31,34,35)(H2,32,33,36,38);2*3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H,30,31)(H2,32,33,35,37);3-5,7-8,10,12,15-17H,6,9,11,13-14H2,1-2H3,(H,26,27)(H2,29,30,31,33)
• InChIKey: FMDHXGUSKDLQRY-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 446.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 47
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.74
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?

The IUPAC name of 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea (CID 158073904) is 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea.

What is the SMILES notation for 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?

The canonical SMILES for 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea is CN(C)CCCOc1cc2nccc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cn1.CN(C)CCCOc1ccc(-c2nc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)ccnc3o2)cc1.CN(C)CCCOc1ccc(-c2nc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)ccnc3s2)cc1.CN(C)CCCOc1ccc(-c2nc3nccc(NCCc4cnc(NC(=O)Nc5ccccc5)s4)c3[nH]2)cc1.

What is the InChIKey of 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?

The InChIKey is FMDHXGUSKDLQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2S.C29H31N7O3S.C29H31N7O2S2.C25H29N7O2S/c1-37(2)17-6-18-39-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)35-26)30-15-13-23-19-32-29(40-23)36-28(38)33-21-7-4-3-5-8-21;1-36(2)17-6-18-38-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)39-26)30-15-13-23-19-32-29(40-23)35-28(37)33-21-7-4-3-5-8-21;1-36(2)17-6-18-38-22-11-9-20(10-12-22)26-34-25-24(14-16-31-27(25)40-26)30-15-13-23-19-32-29(39-23)35-28(37)33-21-7-4-3-5-8-21;1-32(2)13-6-14-34-23-15-22-20(17-28-23)21(10-12-27-22)26-11-9-19-16-29-25(35-19)31-24(33)30-18-7-4-3-5-8-18/h3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H2,30,31,34,35)(H2,32,33,36,38);2*3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H,30,31)(H2,32,33,35,37);3-5,7-8,10,12,15-17H,6,9,11,13-14H2,1-2H3,(H,26,27)(H2,29,30,31,33).

What are the key properties of 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?

1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 2179.74 g/mol, XLogP of 22.85, 47 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[[7-[3-(dimethylamino)propoxy]-1,6-naphthyridin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 158073904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).