6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline

C52H49Br2ClF2N8 — CID 159815190

About 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline

6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline (PubChem CID 159815190) has the molecular formula C52H49Br2ClF2N8 and a molecular weight of 1019.28 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline.

Molecular Properties

• Compound Name: 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline
• PubChem CID: 159815190
• Molecular Formula: C52H49Br2ClF2N8
• Molecular Weight: 1019.28 g/mol
• Exact Mass: 1016.21
• IUPAC Name: 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline
• SMILES: CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21.CC1(C)CNc2cc(Br)cnc21
• InChI: InChI=1S/C26H24BrFN4.C17H14ClFN2.C9H11BrN2/c1-15(2)22-23(19-7-5-6-10-29-19)31-20-12-17(28)8-9-18(20)24(22)32-14-26(3,4)25-21(32)11-16(27)13-30-25;1-10(2)15-16(18)12-7-6-11(19)9-14(12)21-17(15)13-5-3-4-8-20-13;1-9(2)5-12-7-3-6(10)4-11-8(7)9/h5-13,15H,14H2,1-4H3;3-10H,1-2H3;3-4,12H,5H2,1-2H3
• InChIKey: NLNKRMPZSOZXID-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 92.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.28
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?

The IUPAC name of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline (CID 159815190) is 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline.

What is the SMILES notation for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?

The canonical SMILES for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline is CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21.CC1(C)CNc2cc(Br)cnc21.

What is the InChIKey of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?

The InChIKey is NLNKRMPZSOZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN4.C17H14ClFN2.C9H11BrN2/c1-15(2)22-23(19-7-5-6-10-29-19)31-20-12-17(28)8-9-18(20)24(22)32-14-26(3,4)25-21(32)11-16(27)13-30-25;1-10(2)15-16(18)12-7-6-11(19)9-14(12)21-17(15)13-5-3-4-8-20-13;1-9(2)5-12-7-3-6(10)4-11-8(7)9/h5-13,15H,14H2,1-4H3;3-10H,1-2H3;3-4,12H,5H2,1-2H3.

What are the key properties of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?

6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline has a molecular weight of 1019.28 g/mol, XLogP of 14.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine;4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline;4-chloro-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 159815190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).