1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C83H83Br2F10N23O13 — CID 158081575

About 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158081575) has the molecular formula C83H83Br2F10N23O13 and a molecular weight of 1960.51 g/mol. Its IUPAC name is 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 158081575
• Molecular Formula: C83H83Br2F10N23O13
• Molecular Weight: 1960.51 g/mol
• Exact Mass: 1957.47
• IUPAC Name: 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CC1(F)CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2C3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)C1.NC(=O)c1nn(CC(=O)N2C3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
• InChI: InChI=1S/C30H30F5N7O5.C27H27BrF2N8O4.C26H26BrF3N8O4/c1-29(32)8-3-9-40(14-29)28(46)37-16-6-7-19-17(12-16)25(26(36)44)39-41(19)13-23(43)42-20-10-15(20)11-21(42)27(45)38-18-4-2-5-22(24(18)31)47-30(33,34)35;28-20-3-1-4-21(33-20)34-25(41)19-10-14-9-18(14)38(19)22(39)12-37-17-6-5-15(11-16(17)23(35-37)24(31)40)32-26(42)36-8-2-7-27(29,30)13-36;27-19-3-1-4-20(33-19)34-24(41)18-9-14(28)11-37(18)21(39)12-38-17-6-5-15(10-16(17)22(35-38)23(31)40)32-25(42)36-8-2-7-26(29,30)13-36/h2,4-7,12,15,20-21H,3,8-11,13-14H2,1H3,(H2,36,44)(H,37,46)(H,38,45);1,3-6,11,14,18-19H,2,7-10,12-13H2,(H2,31,40)(H,32,42)(H,33,34,41);1,3-6,10,14,18H,2,7-9,11-13H2,(H2,31,40)(H,32,42)(H,33,34,41)/t15-,20?,21+,29?;14-,18?,19+;14-,18+/m111/s1
• InChIKey: FNABXZGIGHGOJF-DPWLUCNHSA-N
• XLogP: 10.47
• TPSA: 462.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.51
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 158081575) is 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is CC1(F)CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2C3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)C1.NC(=O)c1nn(CC(=O)N2C3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.

What is the InChIKey of 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is FNABXZGIGHGOJF-DPWLUCNHSA-N. The full InChI is InChI=1S/C30H30F5N7O5.C27H27BrF2N8O4.C26H26BrF3N8O4/c1-29(32)8-3-9-40(14-29)28(46)37-16-6-7-19-17(12-16)25(26(36)44)39-41(19)13-23(43)42-20-10-15(20)11-21(42)27(45)38-18-4-2-5-22(24(18)31)47-30(33,34)35;28-20-3-1-4-21(33-20)34-25(41)19-10-14-9-18(14)38(19)22(39)12-37-17-6-5-15(11-16(17)23(35-37)24(31)40)32-26(42)36-8-2-7-27(29,30)13-36;27-19-3-1-4-20(33-19)34-24(41)18-9-14(28)11-37(18)21(39)12-38-17-6-5-15(10-16(17)22(35-38)23(31)40)32-25(42)36-8-2-7-26(29,30)13-36/h2,4-7,12,15,20-21H,3,8-11,13-14H2,1H3,(H2,36,44)(H,37,46)(H,38,45);1,3-6,11,14,18-19H,2,7-10,12-13H2,(H2,31,40)(H,32,42)(H,33,34,41);1,3-6,10,14,18H,2,7-9,11-13H2,(H2,31,40)(H,32,42)(H,33,34,41)/t15-,20?,21+,29?;14-,18?,19+;14-,18+/m111/s1.

What are the key properties of 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 1960.51 g/mol, XLogP of 10.47, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;5-[(3-fluoro-3-methylpiperidine-1-carbonyl)amino]-1-[2-[(3S,5R)-3-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158081575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).