3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone

C85H83BrClF2N21O10 — CID 157255090

About 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone

3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone (PubChem CID 157255090) has the molecular formula C85H83BrClF2N21O10 and a molecular weight of 1712.09 g/mol. Its IUPAC name is 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone
• PubChem CID: 157255090
• Molecular Formula: C85H83BrClF2N21O10
• Molecular Weight: 1712.09 g/mol
• Exact Mass: 1709.55
• IUPAC Name: 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone
• SMILES: CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cc(Cl)cc(C)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(C(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CCn1ccc(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1
• InChI: InChI=1S/C29H28BrFN8O4.C28H26ClFN6O3.C28H29N7O3/c1-15(40)27-21-9-19(17-11-32-16(2)33-12-17)20(29(43)37(3)4)10-22(21)39(36-27)14-26(41)38-13-18(31)8-23(38)28(42)35-25-7-5-6-24(30)34-25;1-15-6-20(29)8-22(33-15)10-26(38)25-9-21(30)13-35(25)27(39)14-36-24-5-4-18(19-11-31-17(3)32-12-19)7-23(24)28(34-36)16(2)37;1-4-33-8-7-21(31-33)12-26(37)25-11-19-10-24(19)35(25)27(38)15-34-23-6-5-18(20-13-29-17(3)30-14-20)9-22(23)28(32-34)16(2)36/h5-7,9-12,18,23H,8,13-14H2,1-4H3,(H,34,35,42);4-8,11-12,21,25H,9-10,13-14H2,1-3H3;5-9,13-14,19,24-25H,4,10-12,15H2,1-3H3/t18-,23+;21-,25+;19-,24-,25+/m111/s1
• InChIKey: AWUIZOHCNMECMI-NGXMKBLGSA-N
• XLogP: 10.58
• TPSA: 370.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.09
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone?

The IUPAC name of 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone (CID 157255090) is 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone.

What is the SMILES notation for 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone?

The canonical SMILES for 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cc(Cl)cc(C)n2)c2ccc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(C(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CCn1ccc(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.

What is the InChIKey of 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone?

The InChIKey is AWUIZOHCNMECMI-NGXMKBLGSA-N. The full InChI is InChI=1S/C29H28BrFN8O4.C28H26ClFN6O3.C28H29N7O3/c1-15(40)27-21-9-19(17-11-32-16(2)33-12-17)20(29(43)37(3)4)10-22(21)39(36-27)14-26(41)38-13-18(31)8-23(38)28(42)35-25-7-5-6-24(30)34-25;1-15-6-20(29)8-22(33-15)10-26(38)25-9-21(30)13-35(25)27(39)14-36-24-5-4-18(19-11-31-17(3)32-12-19)7-23(24)28(34-36)16(2)37;1-4-33-8-7-21(31-33)12-26(37)25-11-19-10-24(19)35(25)27(38)15-34-23-6-5-18(20-13-29-17(3)30-14-20)9-22(23)28(32-34)16(2)36/h5-7,9-12,18,23H,8,13-14H2,1-4H3,(H,34,35,42);4-8,11-12,21,25H,9-10,13-14H2,1-3H3;5-9,13-14,19,24-25H,4,10-12,15H2,1-3H3/t18-,23+;21-,25+;19-,24-,25+/m111/s1.

What are the key properties of 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone?

3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone has a molecular weight of 1712.09 g/mol, XLogP of 10.58, 22 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N,N-dimethyl-5-(2-methylpyrimidin-5-yl)indazole-6-carboxamide;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(1-ethylpyrazol-3-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(4-chloro-6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157255090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).