1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one

C127H131F7N26O15 — CID 157229852

About 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one

1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one (PubChem CID 157229852) has the molecular formula C127H131F7N26O15 and a molecular weight of 2394.60 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one.

Molecular Properties

• Compound Name: 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one
• PubChem CID: 157229852
• Molecular Formula: C127H131F7N26O15
• Molecular Weight: 2394.60 g/mol
• Exact Mass: 2393.02
• IUPAC Name: 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one
• SMILES: CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCN5C(=O)CCC5C4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(NC4CCCOC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N[C@@H]4CCOC4)nc3)ccc2c(=O)n1C.COCCCNc1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(F)F)c3c2)cn1.Cn1c(=O)c2ccc(-c3cnc(NC4CCOC4)nc3)cc2n1Cc1ccccc1OC(F)F
• InChI: InChI=1S/C28H29FN6O3.C26H28FN5O3.C25H26FN5O3.C24H23F2N5O3.C24H25F2N5O3/c1-18(29)38-25-6-4-3-5-20(25)16-35-24-13-19(7-9-23(24)27(37)32(35)2)21-14-30-28(31-15-21)33-11-12-34-22(17-33)8-10-26(34)36;1-17(27)35-24-8-4-3-6-19(24)15-32-23-12-18(9-10-22(23)25(33)31(32)2)20-13-28-26(29-14-20)30-21-7-5-11-34-16-21;1-16(26)34-23-6-4-3-5-18(23)14-31-22-11-17(7-8-21(22)24(32)30(31)2)19-12-27-25(28-13-19)29-20-9-10-33-15-20;1-30-22(32)19-7-6-15(17-11-27-24(28-12-17)29-18-8-9-33-14-18)10-20(19)31(30)13-16-4-2-3-5-21(16)34-23(25)26;1-30-22(32)19-9-8-16(18-13-28-24(29-14-18)27-10-5-11-33-2)12-20(19)31(30)15-17-6-3-4-7-21(17)34-23(25)26/h3-7,9,13-15,18,22H,8,10-12,16-17H2,1-2H3;3-4,6,8-10,12-14,17,21H,5,7,11,15-16H2,1-2H3,(H,28,29,30);3-8,11-13,16,20H,9-10,14-15H2,1-2H3,(H,27,28,29);2-7,10-12,18,23H,8-9,13-14H2,1H3,(H,27,28,29);3-4,6-9,12-14,23H,5,10-11,15H2,1-2H3,(H,27,28,29)/t;;16?,20-;;/m..1../s1
• InChIKey: ATYYJNKVOFELDO-DPQCBQJXSA-N
• XLogP: 18.76
• TPSA: 418.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.60
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one?

The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one (CID 157229852) is 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one.

What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one?

The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one is CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCN5C(=O)CCC5C4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(NC4CCCOC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N[C@@H]4CCOC4)nc3)ccc2c(=O)n1C.COCCCNc1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(F)F)c3c2)cn1.Cn1c(=O)c2ccc(-c3cnc(NC4CCOC4)nc3)cc2n1Cc1ccccc1OC(F)F.

What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one?

The InChIKey is ATYYJNKVOFELDO-DPQCBQJXSA-N. The full InChI is InChI=1S/C28H29FN6O3.C26H28FN5O3.C25H26FN5O3.C24H23F2N5O3.C24H25F2N5O3/c1-18(29)38-25-6-4-3-5-20(25)16-35-24-13-19(7-9-23(24)27(37)32(35)2)21-14-30-28(31-15-21)33-11-12-34-22(17-33)8-10-26(34)36;1-17(27)35-24-8-4-3-6-19(24)15-32-23-12-18(9-10-22(23)25(33)31(32)2)20-13-28-26(29-14-20)30-21-7-5-11-34-16-21;1-16(26)34-23-6-4-3-5-18(23)14-31-22-11-17(7-8-21(22)24(32)30(31)2)19-12-27-25(28-13-19)29-20-9-10-33-15-20;1-30-22(32)19-7-6-15(17-11-27-24(28-12-17)29-18-8-9-33-14-18)10-20(19)31(30)13-16-4-2-3-5-21(16)34-23(25)26;1-30-22(32)19-9-8-16(18-13-28-24(29-14-18)27-10-5-11-33-2)12-20(19)31(30)15-17-6-3-4-7-21(17)34-23(25)26/h3-7,9,13-15,18,22H,8,10-12,16-17H2,1-2H3;3-4,6,8-10,12-14,17,21H,5,7,11,15-16H2,1-2H3,(H,28,29,30);3-8,11-13,16,20H,9-10,14-15H2,1-2H3,(H,27,28,29);2-7,10-12,18,23H,8-9,13-14H2,1H3,(H,27,28,29);3-4,6-9,12-14,23H,5,10-11,15H2,1-2H3,(H,27,28,29)/t;;16?,20-;;/m..1../s1.

What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one?

1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one has a molecular weight of 2394.60 g/mol, XLogP of 18.76, 37 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(oxolan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-3-ylamino)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-yl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]indazol-3-one is sourced from PubChem (CID 157229852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).