(1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

C110H114F4N22O12 — CID 157169633

About (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

(1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 157169633) has the molecular formula C110H114F4N22O12 and a molecular weight of 2012.26 g/mol. Its IUPAC name is (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

• Compound Name: (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• PubChem CID: 157169633
• Molecular Formula: C110H114F4N22O12
• Molecular Weight: 2012.26 g/mol
• Exact Mass: 2010.89
• IUPAC Name: (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• SMILES: Cc1ccc(OC(C)F)c([C@@H]2CCn3c(=O)c4ccc(-c5cnc(C(C)(C)O)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@@H]2CCn3c(=O)c4ccc(-c5cnc(N6CCN7C(=O)NC[C@H]7C6)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@H]2CCn3c(=O)c4ccc(-c5cnc(C(C)(C)O)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@H]2CCn3c(=O)c4ccc(-c5cnc(N6CCN7C(=O)NC[C@H]7C6)nc5)cc4n32)c1
• InChI: InChI=1S/2C29H30FN7O3.2C26H27FN4O3/c2*1-17-3-6-26(40-18(2)30)23(11-17)24-7-8-36-27(38)22-5-4-19(12-25(22)37(24)36)20-13-31-28(32-14-20)34-9-10-35-21(16-34)15-33-29(35)39;2*1-15-5-8-23(34-16(2)27)20(11-15)21-9-10-30-24(32)19-7-6-17(12-22(19)31(21)30)18-13-28-25(29-14-18)26(3,4)33/h2*3-6,11-14,18,21,24H,7-10,15-16H2,1-2H3,(H,33,39);2*5-8,11-14,16,21,33H,9-10H2,1-4H3/t18?,21-,24+;18?,21-,24-;2*16?,21-/m0010/s1
• InChIKey: ANHRHPZEPMFRTP-GKSLMCQDSA-N
• XLogP: 15.91
• TPSA: 359.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.26
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The IUPAC name of (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 157169633) is (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The canonical SMILES for (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is Cc1ccc(OC(C)F)c([C@@H]2CCn3c(=O)c4ccc(-c5cnc(C(C)(C)O)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@@H]2CCn3c(=O)c4ccc(-c5cnc(N6CCN7C(=O)NC[C@H]7C6)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@H]2CCn3c(=O)c4ccc(-c5cnc(C(C)(C)O)nc5)cc4n32)c1.Cc1ccc(OC(C)F)c([C@H]2CCn3c(=O)c4ccc(-c5cnc(N6CCN7C(=O)NC[C@H]7C6)nc5)cc4n32)c1.

What is the InChIKey of (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The InChIKey is ANHRHPZEPMFRTP-GKSLMCQDSA-N. The full InChI is InChI=1S/2C29H30FN7O3.2C26H27FN4O3/c2*1-17-3-6-26(40-18(2)30)23(11-17)24-7-8-36-27(38)22-5-4-19(12-25(22)37(24)36)20-13-31-28(32-14-20)34-9-10-35-21(16-34)15-33-29(35)39;2*1-15-5-8-23(34-16(2)27)20(11-15)21-9-10-30-24(32)19-7-6-17(12-22(19)31(21)30)18-13-28-25(29-14-18)26(3,4)33/h2*3-6,11-14,18,21,24H,7-10,15-16H2,1-2H3,(H,33,39);2*5-8,11-14,16,21,33H,9-10H2,1-4H3/t18?,21-,24+;18?,21-,24-;2*16?,21-/m0010/s1.

What are the key properties of (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

(1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one has a molecular weight of 2012.26 g/mol, XLogP of 15.91, 20 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(1-fluoroethoxy)-5-methylphenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1R)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;(1S)-1-[2-(1-fluoroethoxy)-5-methylphenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is sourced from PubChem (CID 157169633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).