3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

C109H95F6N23O4 — CID 161482793

About 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 161482793) has the molecular formula C109H95F6N23O4 and a molecular weight of 1905.10 g/mol. Its IUPAC name is 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

• Compound Name: 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
• PubChem CID: 161482793
• Molecular Formula: C109H95F6N23O4
• Molecular Weight: 1905.10 g/mol
• Exact Mass: 1903.78
• IUPAC Name: 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
• SMILES: CN1CCN(CCCn2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1.OCC(O)Cn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cn1.OCCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cn1
• InChI: InChI=1S/C30H30FN7.C29H27FN6O.C25H19F2N5O2.C25H19F2N5O/c1-36-12-14-37(15-13-36)10-5-11-38-21-24(20-34-38)22-16-23(19-32-18-22)27-17-29(26-6-2-3-8-28(26)31)35-30-25(27)7-4-9-33-30;30-27-7-2-1-5-25(27)28-16-26(24-6-3-8-32-29(24)34-28)22-15-21(17-31-18-22)23-19-33-36(20-23)10-4-9-35-11-13-37-14-12-35;26-18-3-4-23(27)22(7-18)24-8-21(20-2-1-5-29-25(20)31-24)16-6-15(9-28-10-16)17-11-30-32(12-17)13-19(34)14-33;26-19-4-5-23(27)22(10-19)24-11-21(20-3-1-6-29-25(20)31-24)17-9-16(12-28-13-17)18-14-30-32(15-18)7-2-8-33/h2-4,6-9,16-21H,5,10-15H2,1H3;1-3,5-8,15-20H,4,9-14H2;1-12,19,33-34H,13-14H2;1,3-6,9-15,33H,2,7-8H2
• InChIKey: WEOWEFPDSASSFH-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 305.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.10
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?

The IUPAC name of 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 161482793) is 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

What is the SMILES notation for 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?

The canonical SMILES for 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is CN1CCN(CCCn2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1.OCC(O)Cn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cn1.OCCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cn1.

What is the InChIKey of 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?

The InChIKey is WEOWEFPDSASSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7.C29H27FN6O.C25H19F2N5O2.C25H19F2N5O/c1-36-12-14-37(15-13-36)10-5-11-38-21-24(20-34-38)22-16-23(19-32-18-22)27-17-29(26-6-2-3-8-28(26)31)35-30-25(27)7-4-9-33-30;30-27-7-2-1-5-25(27)28-16-26(24-6-3-8-32-29(24)34-28)22-15-21(17-31-18-22)23-19-33-36(20-23)10-4-9-35-11-13-37-14-12-35;26-18-3-4-23(27)22(7-18)24-8-21(20-2-1-5-29-25(20)31-24)16-6-15(9-28-10-16)17-11-30-32(12-17)13-19(34)14-33;26-19-4-5-23(27)22(10-19)24-11-21(20-3-1-6-29-25(20)31-24)17-9-16(12-28-13-17)18-14-30-32(15-18)7-2-8-33/h2-4,6-9,16-21H,5,10-15H2,1H3;1-3,5-8,15-20H,4,9-14H2;1-12,19,33-34H,13-14H2;1,3-6,9-15,33H,2,7-8H2.

What are the key properties of 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?

3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 1905.10 g/mol, XLogP of 18.82, 26 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 161482793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).