3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane

C77H87F7N10O4 — CID 159157961

About 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane

3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane (PubChem CID 159157961) has the molecular formula C77H87F7N10O4 and a molecular weight of 1349.59 g/mol. Its IUPAC name is 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane.

Molecular Properties

• Compound Name: 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane
• PubChem CID: 159157961
• Molecular Formula: C77H87F7N10O4
• Molecular Weight: 1349.59 g/mol
• Exact Mass: 1348.68
• IUPAC Name: 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane
• SMILES: C.C.C.C.CC(C)C(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.Cc1cc(N2CCCc3nc(C4(C(=O)Cc5ccc(F)cc5)CC(F)(F)C4)ccc32)ncn1.Cc1cc(N2CCCc3nc(C4(C(=O)Cc5ccc(F)cc5)CC4(F)F)ccc32)ncn1
• InChI: InChI=1S/C25H23F3N4O.C24H21F3N4O.C24H27FN2O2.4CH4/c1-16-11-23(30-15-29-16)32-10-2-3-19-20(32)8-9-21(31-19)24(13-25(27,28)14-24)22(33)12-17-4-6-18(26)7-5-17;1-15-11-22(29-14-28-15)31-10-2-3-18-19(31)8-9-20(30-18)23(13-24(23,26)27)21(32)12-16-4-6-17(25)7-5-16;1-15(2)23(22(28)14-16-5-9-18(25)10-6-16)20-11-12-21-19(26-20)4-3-13-27(21)24(29)17-7-8-17;;;;/h4-9,11,15H,2-3,10,12-14H2,1H3;4-9,11,14H,2-3,10,12-13H2,1H3;5-6,9-12,15,17,23H,3-4,7-8,13-14H2,1-2H3;4*1H4
• InChIKey: KKDAJRFLTZSHCE-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 168.23 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.59
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane?

The IUPAC name of 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane (CID 159157961) is 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane.

What is the SMILES notation for 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane?

The canonical SMILES for 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane is C.C.C.C.CC(C)C(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1CC1.Cc1cc(N2CCCc3nc(C4(C(=O)Cc5ccc(F)cc5)CC(F)(F)C4)ccc32)ncn1.Cc1cc(N2CCCc3nc(C4(C(=O)Cc5ccc(F)cc5)CC4(F)F)ccc32)ncn1.

What is the InChIKey of 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane?

The InChIKey is KKDAJRFLTZSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O.C24H21F3N4O.C24H27FN2O2.4CH4/c1-16-11-23(30-15-29-16)32-10-2-3-19-20(32)8-9-21(31-19)24(13-25(27,28)14-24)22(33)12-17-4-6-18(26)7-5-17;1-15-11-22(29-14-28-15)31-10-2-3-18-19(31)8-9-20(30-18)23(13-24(23,26)27)21(32)12-16-4-6-17(25)7-5-16;1-15(2)23(22(28)14-16-5-9-18(25)10-6-16)20-11-12-21-19(26-20)4-3-13-27(21)24(29)17-7-8-17;;;;/h4-9,11,15H,2-3,10,12-14H2,1H3;4-9,11,14H,2-3,10,12-13H2,1H3;5-6,9-12,15,17,23H,3-4,7-8,13-14H2,1-2H3;4*1H4.

What are the key properties of 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane?

3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane has a molecular weight of 1349.59 g/mol, XLogP of 16.38, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane is sourced from PubChem (CID 159157961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).