6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

C137H114ClF20N31O9 — CID 161086273

About 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 161086273) has the molecular formula C137H114ClF20N31O9 and a molecular weight of 2754.04 g/mol. Its IUPAC name is 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
• PubChem CID: 161086273
• Molecular Formula: C137H114ClF20N31O9
• Molecular Weight: 2754.04 g/mol
• Exact Mass: 2751.88
• IUPAC Name: 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
• SMILES: O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccnc1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cccc(C(F)(F)F)c1.O=c1ccc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(NC34CC(C3)C4)nc2)nn1Cc1cccc(Cl)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C21H19FN4O.C20H18ClN5O.2C20H17F4N5O.C20H19N5O.C18H12F6N4O2.C18H12F5N3O2/c22-17-3-1-2-14(8-17)13-26-20(27)7-5-18(25-26)16-4-6-19(23-12-16)24-21-9-15(10-21)11-21;21-16-3-1-2-13(6-16)12-26-18(27)5-4-17(25-26)15-10-22-19(23-11-15)24-20-7-14(8-20)9-20;2*21-15-4-1-3-13(9-15)12-29-18(30)7-6-16(27-29)14-10-25-19(26-11-14)28-8-2-5-17(28)20(22,23)24;26-19-6-4-17(24-25(19)13-14-2-1-7-21-11-14)16-3-5-18(22-12-16)23-20-8-15(9-20)10-20;19-17(20,21)10-30-16-25-7-12(8-26-16)14-4-5-15(29)28(27-14)9-11-2-1-3-13(6-11)18(22,23)24;19-17(20)28-15-6-4-12(9-24-15)14-5-7-16(27)26(25-14)10-11-2-1-3-13(8-11)18(21,22)23/h1-8,12,15H,9-11,13H2,(H,23,24);1-6,10-11,14H,7-9,12H2,(H,22,23,24);2*1,3-4,6-7,9-11,17H,2,5,8,12H2;1-7,11-12,15H,8-10,13H2,(H,22,23);1-8H,9-10H2;1-9,17H,10H2/t;;2*17-;;;/m..10.../s1
• InChIKey: UGOBALDSHUCHSM-FRTYQVPPSA-N
• XLogP: 24.06
• TPSA: 459.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2754.04
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?

The IUPAC name of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (CID 161086273) is 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?

The canonical SMILES for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccnc1.O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cccc(C(F)(F)F)c1.O=c1ccc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(NC34CC(C3)C4)nc2)nn1Cc1cccc(Cl)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cccc(C(F)(F)F)c1.

What is the InChIKey of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?

The InChIKey is UGOBALDSHUCHSM-FRTYQVPPSA-N. The full InChI is InChI=1S/C21H19FN4O.C20H18ClN5O.2C20H17F4N5O.C20H19N5O.C18H12F6N4O2.C18H12F5N3O2/c22-17-3-1-2-14(8-17)13-26-20(27)7-5-18(25-26)16-4-6-19(23-12-16)24-21-9-15(10-21)11-21;21-16-3-1-2-13(6-16)12-26-18(27)5-4-17(25-26)15-10-22-19(23-11-15)24-20-7-14(8-20)9-20;2*21-15-4-1-3-13(9-15)12-29-18(30)7-6-16(27-29)14-10-25-19(26-11-14)28-8-2-5-17(28)20(22,23)24;26-19-6-4-17(24-25(19)13-14-2-1-7-21-11-14)16-3-5-18(22-12-16)23-20-8-15(9-20)10-20;19-17(20,21)10-30-16-25-7-12(8-26-16)14-4-5-15(29)28(27-14)9-11-2-1-3-13(6-11)18(22,23)24;19-17(20)28-15-6-4-12(9-24-15)14-5-7-16(27)26(25-14)10-11-2-1-3-13(8-11)18(21,22)23/h1-8,12,15H,9-11,13H2,(H,23,24);1-6,10-11,14H,7-9,12H2,(H,22,23,24);2*1,3-4,6-7,9-11,17H,2,5,8,12H2;1-7,11-12,15H,8-10,13H2,(H,22,23);1-8H,9-10H2;1-9,17H,10H2/t;;2*17-;;;/m..10.../s1.

What are the key properties of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?

6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 2754.04 g/mol, XLogP of 24.06, 33 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one;6-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-2-[(3-chlorophenyl)methyl]pyridazin-3-one;6-[6-(difluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 161086273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).