4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C54H55ClF2N12O2 — CID 157334546

About 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 157334546) has the molecular formula C54H55ClF2N12O2 and a molecular weight of 977.56 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
• PubChem CID: 157334546
• Molecular Formula: C54H55ClF2N12O2
• Molecular Weight: 977.56 g/mol
• Exact Mass: 976.42
• IUPAC Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
• SMILES: CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(-c2cncc(F)c2)nc2cnccc2c1Cl.Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C27H27FN6O.C14H9ClFN3.C13H19N3O/c1-17-24(18-10-19(28)13-30-12-18)32-22-15-29-5-4-21(22)25(17)34-16-27(2,3)26-23(34)11-20(14-31-26)33-6-8-35-9-7-33;1-8-13(15)11-2-3-17-7-12(11)19-14(8)9-4-10(16)6-18-5-9;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-5,10-15H,6-9,16H2,1-3H3;2-7H,1H3;7-8,15H,3-6,9H2,1-2H3
• InChIKey: BFRLFQHHINSVCX-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 143.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.56
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 157334546) is 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(-c2cncc(F)c2)nc2cnccc2c1Cl.Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The InChIKey is BFRLFQHHINSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O.C14H9ClFN3.C13H19N3O/c1-17-24(18-10-19(28)13-30-12-18)32-22-15-29-5-4-21(22)25(17)34-16-27(2,3)26-23(34)11-20(14-31-26)33-6-8-35-9-7-33;1-8-13(15)11-2-3-17-7-12(11)19-14(8)9-4-10(16)6-18-5-9;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-5,10-15H,6-9,16H2,1-3H3;2-7H,1H3;7-8,15H,3-6,9H2,1-2H3.

What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 977.56 g/mol, XLogP of 10.21, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[1-[2-(5-fluoro-3-pyridinyl)-3-methyl-1,7-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 157334546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).