2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

C92H107F3N24O4 — CID 159148274

About 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol

2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (PubChem CID 159148274) has the molecular formula C92H107F3N24O4 and a molecular weight of 1670.03 g/mol. Its IUPAC name is 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
• PubChem CID: 159148274
• Molecular Formula: C92H107F3N24O4
• Molecular Weight: 1670.03 g/mol
• Exact Mass: 1668.89
• IUPAC Name: 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
• SMILES: CCC(CC)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.CCn1cc2c(c1Cc1ccc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nn1)CCCC2.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCC(C(F)(F)F)CC4)nn3)nc2CO)cn1
• InChI: InChI=1S/2C25H28N6O.C22H25F3N6O.C20H26N6O/c1-4-30-15-18-7-5-6-8-20(18)24(30)13-19-9-10-22(29-28-19)21-11-12-23(25(27-21)32-3)31-14-17(2)26-16-31;1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31;1-13-9-18(17-7-8-20(19(11-32)28-17)31-10-14(2)26-12-31)29-30-21(13)27-16-5-3-15(4-6-16)22(23,24)25;1-5-15(6-2)22-20-13(3)9-17(24-25-20)16-7-8-19(18(11-27)23-16)26-10-14(4)21-12-26/h9-12,14-16H,4-8,13H2,1-3H3;7-11,13-15,19H,6,12H2,1-5H3;7-10,12,15-16,32H,3-6,11H2,1-2H3,(H,27,30);7-10,12,15,27H,5-6,11H2,1-4H3,(H,22,25)/t;19-;;/m.1../s1
• InChIKey: KIYMNJGNTQOFAM-UUDFHTLGSA-N
• XLogP: 16.92
• TPSA: 326.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.03
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?

The IUPAC name of 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol (CID 159148274) is 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol.

What is the SMILES notation for 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?

The canonical SMILES for 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is CCC(CC)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.CCn1cc2c(c1Cc1ccc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nn1)CCCC2.Cc1cn(-c2ccc(-c3cc(C)c(NC4CCC(C(F)(F)F)CC4)nn3)nc2CO)cn1.

What is the InChIKey of 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?

The InChIKey is KIYMNJGNTQOFAM-UUDFHTLGSA-N. The full InChI is InChI=1S/2C25H28N6O.C22H25F3N6O.C20H26N6O/c1-4-30-15-18-7-5-6-8-20(18)24(30)13-19-9-10-22(29-28-19)21-11-12-23(25(27-21)32-3)31-14-17(2)26-16-31;1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31;1-13-9-18(17-7-8-20(19(11-32)28-17)31-10-14(2)26-12-31)29-30-21(13)27-16-5-3-15(4-6-16)22(23,24)25;1-5-15(6-2)22-20-13(3)9-17(24-25-20)16-7-8-19(18(11-27)23-16)26-10-14(4)21-12-26/h9-12,14-16H,4-8,13H2,1-3H3;7-11,13-15,19H,6,12H2,1-5H3;7-10,12,15-16,32H,3-6,11H2,1-2H3,(H,27,30);7-10,12,15,27H,5-6,11H2,1-4H3,(H,22,25)/t;19-;;/m.1../s1.

What are the key properties of 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol?

2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 1670.03 g/mol, XLogP of 16.92, 25 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 159148274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).