1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine

C55H55BrCl2F4N12O — CID 158337707

About 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine

1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine (PubChem CID 158337707) has the molecular formula C55H55BrCl2F4N12O and a molecular weight of 1126.93 g/mol. Its IUPAC name is 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine.

Molecular Properties

• Compound Name: 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine
• PubChem CID: 158337707
• Molecular Formula: C55H55BrCl2F4N12O
• Molecular Weight: 1126.93 g/mol
• Exact Mass: 1124.31
• IUPAC Name: 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine
• SMILES: C1CCN(C2CNC2)CC1.Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(N4CC(N5CCCCC5)C4)cc3n2)cc1Cl.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl
• InChI: InChI=1S/C25H23ClF2N6.C22H16BrClF2N4O.C8H16N2/c26-19-9-17(20(27)10-21(19)28)25-18(12-30-32-25)22-4-5-23-24(31-22)8-15(11-29-23)34-13-16(14-34)33-6-2-1-3-7-33;23-12-7-20-19(27-10-12)5-4-18(28-20)14-11-30(21-3-1-2-6-31-21)29-22(14)13-8-15(24)17(26)9-16(13)25;1-2-4-10(5-3-1)8-6-9-7-8/h4-5,8-12,16H,1-3,6-7,13-14H2,(H,30,32);4-5,7-11,21H,1-3,6H2;8-9H,1-7H2
• InChIKey: GQUAILHAKSOEBF-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 129.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.93
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?

The IUPAC name of 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine (CID 158337707) is 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine.

What is the SMILES notation for 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?

The canonical SMILES for 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine is C1CCN(C2CNC2)CC1.Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(N4CC(N5CCCCC5)C4)cc3n2)cc1Cl.Fc1cc(F)c(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1Cl.

What is the InChIKey of 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?

The InChIKey is GQUAILHAKSOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N6.C22H16BrClF2N4O.C8H16N2/c26-19-9-17(20(27)10-21(19)28)25-18(12-30-32-25)22-4-5-23-24(31-22)8-15(11-29-23)34-13-16(14-34)33-6-2-1-3-7-33;23-12-7-20-19(27-10-12)5-4-18(28-20)14-11-30(21-3-1-2-6-31-21)29-22(14)13-8-15(24)17(26)9-16(13)25;1-2-4-10(5-3-1)8-6-9-7-8/h4-5,8-12,16H,1-3,6-7,13-14H2,(H,30,32);4-5,7-11,21H,1-3,6H2;8-9H,1-7H2.

What are the key properties of 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?

1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine has a molecular weight of 1126.93 g/mol, XLogP of 12.29, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-3-yl)piperidine;7-bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 158337707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).