3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

C110H96Cl2F4N24O — CID 159812236

About 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 159812236) has the molecular formula C110H96Cl2F4N24O and a molecular weight of 1917.04 g/mol. Its IUPAC name is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

• Compound Name: 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
• PubChem CID: 159812236
• Molecular Formula: C110H96Cl2F4N24O
• Molecular Weight: 1917.04 g/mol
• Exact Mass: 1914.75
• IUPAC Name: 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
• SMILES: CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.CN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1
• InChI: InChI=1S/C28H24ClFN6O.C28H25FN6.C27H24ClFN6.C27H23FN6/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35;1-34-11-8-22(9-12-34)35-18-21(17-32-35)19-13-20(16-30-15-19)25-14-27(24-5-2-3-7-26(24)29)33-28-23(25)6-4-10-31-28;1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;28-25-6-2-1-4-23(25)26-13-24(22-5-3-9-31-27(22)33-26)19-12-18(14-30-15-19)20-16-32-34(17-20)21-7-10-29-11-8-21/h1-5,12-18H,6-11H2;2-7,10,13-18,22H,8-9,11-12H2,1H3;3,5-8,11-17H,4,9-10H2,1-2H3;1-6,9,12-17,21,29H,7-8,10-11H2
• InChIKey: NLEBKGINLYOUQK-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 256.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.04
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?

The IUPAC name of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (CID 159812236) is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.

What is the SMILES notation for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?

The canonical SMILES for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.CN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1.

What is the InChIKey of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?

The InChIKey is NLEBKGINLYOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6O.C28H25FN6.C27H24ClFN6.C27H23FN6/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35;1-34-11-8-22(9-12-34)35-18-21(17-32-35)19-13-20(16-30-15-19)25-14-27(24-5-2-3-7-26(24)29)33-28-23(25)6-4-10-31-28;1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;28-25-6-2-1-4-23(25)26-13-24(22-5-3-9-31-27(22)33-26)19-12-18(14-30-15-19)20-16-32-34(17-20)21-7-10-29-11-8-21/h1-5,12-18H,6-11H2;2-7,10,13-18,22H,8-9,11-12H2,1H3;3,5-8,11-17H,4,9-10H2,1-2H3;1-6,9,12-17,21,29H,7-8,10-11H2.

What are the key properties of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?

3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 1917.04 g/mol, XLogP of 22.23, 21 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 159812236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).