6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one

C119H118F8N26O12 — CID 158746646

About 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one

6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one (PubChem CID 158746646) has the molecular formula C119H118F8N26O12 and a molecular weight of 2256.41 g/mol. Its IUPAC name is 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one.

Molecular Properties

• Compound Name: 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
• PubChem CID: 158746646
• Molecular Formula: C119H118F8N26O12
• Molecular Weight: 2256.41 g/mol
• Exact Mass: 2254.93
• IUPAC Name: 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
• SMILES: C#C[C@H]1CCCC1c1ccc(OC(F)F)c(Cn2c3cc(-c4cnc(C(C)(C)O)nc4)ccc3c(=O)n2C)c1.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(Cc6cn[nH]c6)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.Cn1c(=O)c2ccc(-c3cnc(C(C)(C)O)nc3)cc2n1Cc1cc(Cc2cc[nH]c2)ccc1OC(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1cc(Cn2cccn2)ccc1OC(F)F
• InChI: InChI=1S/C31H32F2N8O3.C30H29F2N9O3.C30H30F2N4O3.C28H27F2N5O3/c1-19-17-39(8-9-40(19)20(2)42)31-34-15-25(16-35-31)23-5-6-26-27(12-23)41(38(3)29(26)43)18-24-11-21(10-22-13-36-37-14-22)4-7-28(24)44-30(32)33;1-37-27(42)24-5-4-20(22-13-33-29(34-14-22)38-9-10-40-23(18-38)15-35-30(40)43)12-25(24)41(37)17-21-11-19(16-39-8-2-7-36-39)3-6-26(21)44-28(31)32;1-5-18-7-6-8-23(18)20-10-12-26(39-29(31)32)21(13-20)17-36-25-14-19(9-11-24(25)27(37)35(36)4)22-15-33-28(34-16-22)30(2,3)38;1-28(2,37)26-32-14-21(15-33-26)19-5-6-22-23(12-19)35(34(3)25(22)36)16-20-11-17(10-18-8-9-31-13-18)4-7-24(20)38-27(29)30/h4-7,11-16,19,30H,8-10,17-18H2,1-3H3,(H,36,37);2-8,11-14,23,28H,9-10,15-18H2,1H3,(H,35,43);1,9-16,18,23,29,38H,6-8,17H2,2-4H3;4-9,11-15,27,31,37H,10,16H2,1-3H3/t19-;23-;18-,23?;/m110./s1
• InChIKey: IMYWHAOOTJXXTA-LUPYBZOSSA-N
• XLogP: 16.51
• TPSA: 409.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2256.41
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one?

The IUPAC name of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one (CID 158746646) is 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one.

What is the SMILES notation for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one?

The canonical SMILES for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one is C#C[C@H]1CCCC1c1ccc(OC(F)F)c(Cn2c3cc(-c4cnc(C(C)(C)O)nc4)ccc3c(=O)n2C)c1.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(Cc6cn[nH]c6)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.Cn1c(=O)c2ccc(-c3cnc(C(C)(C)O)nc3)cc2n1Cc1cc(Cc2cc[nH]c2)ccc1OC(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1cc(Cn2cccn2)ccc1OC(F)F.

What is the InChIKey of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one?

The InChIKey is IMYWHAOOTJXXTA-LUPYBZOSSA-N. The full InChI is InChI=1S/C31H32F2N8O3.C30H29F2N9O3.C30H30F2N4O3.C28H27F2N5O3/c1-19-17-39(8-9-40(19)20(2)42)31-34-15-25(16-35-31)23-5-6-26-27(12-23)41(38(3)29(26)43)18-24-11-21(10-22-13-36-37-14-22)4-7-28(24)44-30(32)33;1-37-27(42)24-5-4-20(22-13-33-29(34-14-22)38-9-10-40-23(18-38)15-35-30(40)43)12-25(24)41(37)17-21-11-19(16-39-8-2-7-36-39)3-6-26(21)44-28(31)32;1-5-18-7-6-8-23(18)20-10-12-26(39-29(31)32)21(13-20)17-36-25-14-19(9-11-24(25)27(37)35(36)4)22-15-33-28(34-16-22)30(2,3)38;1-28(2,37)26-32-14-21(15-33-26)19-5-6-22-23(12-19)35(34(3)25(22)36)16-20-11-17(10-18-8-9-31-13-18)4-7-24(20)38-27(29)30/h4-7,11-16,19,30H,8-10,17-18H2,1-3H3,(H,36,37);2-8,11-14,23,28H,9-10,15-18H2,1H3,(H,35,43);1,9-16,18,23,29,38H,6-8,17H2,2-4H3;4-9,11-15,27,31,37H,10,16H2,1-3H3/t19-;23-;18-,23?;/m110./s1.

What are the key properties of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one?

6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one has a molecular weight of 2256.41 g/mol, XLogP of 16.51, 31 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylmethyl)phenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-[(2S)-2-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one is sourced from PubChem (CID 158746646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).