6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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

C136H118ClF15N32O10 — CID 159697517

About 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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 (PubChem CID 159697517) has the molecular formula C136H118ClF15N32O10 and a molecular weight of 2681.08 g/mol. Its IUPAC name is 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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.

Molecular Properties

• Compound Name: 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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
• PubChem CID: 159697517
• Molecular Formula: C136H118ClF15N32O10
• Molecular Weight: 2681.08 g/mol
• Exact Mass: 2678.92
• IUPAC Name: 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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
• SMILES: COCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccnc1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cncc(F)c1.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
• InChI: InChI=1S/C20H18ClN5O.2C20H17F4N5O.C20H18FN5O.C20H19N5O.C18H12F5N3O2.C18H17FN4O3/c21-16-3-1-2-13(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;21-16-5-13(9-22-11-16)12-26-19(27)4-2-17(25-26)15-1-3-18(23-10-15)24-20-6-14(7-20)8-20;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)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;1-25-7-8-26-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13/h1-6,10-11,14H,7-9,12H2,(H,22,23,24);2*1,3-4,6-7,9-11,17H,2,5,8,12H2;1-5,9-11,14H,6-8,12H2,(H,23,24);1-7,11-12,15H,8-10,13H2,(H,22,23);1-9,17H,10H2;2-6,9-11H,7-8,12H2,1H3/t;2*17-;;;;/m.10..../s1
• InChIKey: MXEXCDUZTHJQEH-CVCMHPCZSA-N
• XLogP: 21.66
• TPSA: 482.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.08
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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?

The IUPAC name of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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 (CID 159697517) is 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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.

What is the SMILES notation for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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?

The canonical SMILES for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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 is COCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cccnc1.O=c1ccc(-c2ccc(NC34CC(C3)C4)nc2)nn1Cc1cncc(F)c1.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.

What is the InChIKey of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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?

The InChIKey is MXEXCDUZTHJQEH-CVCMHPCZSA-N. The full InChI is InChI=1S/C20H18ClN5O.2C20H17F4N5O.C20H18FN5O.C20H19N5O.C18H12F5N3O2.C18H17FN4O3/c21-16-3-1-2-13(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;21-16-5-13(9-22-11-16)12-26-19(27)4-2-17(25-26)15-1-3-18(23-10-15)24-20-6-14(7-20)8-20;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)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;1-25-7-8-26-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13/h1-6,10-11,14H,7-9,12H2,(H,22,23,24);2*1,3-4,6-7,9-11,17H,2,5,8,12H2;1-5,9-11,14H,6-8,12H2,(H,23,24);1-7,11-12,15H,8-10,13H2,(H,22,23);1-9,17H,10H2;2-6,9-11H,7-8,12H2,1H3/t;2*17-;;;;/m.10..../s1.

What are the key properties of 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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 has a molecular weight of 2681.08 g/mol, XLogP of 21.66, 35 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-2-[(5-fluoro-3-pyridinyl)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-(2-methoxyethoxy)pyrimidin-5-yl]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 is sourced from PubChem (CID 159697517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).