4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium

C105H101Br2Cl3F7N15O15V — CID 167663386

IUPAC4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium
SMILESC.CN1CCC2(C1)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(-c4ccn[nH]4)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)O)cc32)cc1.[2H]CF.[V]
InChIInChI=1S/C31H28ClF2N5O4.C28H25BrClF2N3O4.C23H20ClF2N5O3.C21H21BrN2O4.CH3F.CH4.V/c1-38-14-12-30(18-38)27-24(25-11-13-35-37-25)15-20(28(40)36-21-5-9-23(10-6-21)43-31(32,33)34)16-26(27)39(29(30)41)17-19-3-7-22(42-2)8-4-19;1-34-12-11-27(16-34)24-22(29)13-18(25(36)33-19-5-9-21(10-6-19)39-28(30,31)32)14-23(24)35(26(27)37)15-17-3-7-20(38-2)8-4-17;1-31-9-7-22(12-31)19-16(17-6-8-27-30-17)10-13(11-18(19)29-21(22)33)20(32)28-14-2-4-15(5-3-14)34-23(24,25)26;1-23-8-7-21(12-23)18-16(22)9-14(19(25)26)10-17(18)24(20(21)27)11-13-3-5-15(28-2)6-4-13;1-2;;/h3-11,13,15-16H,12,14,17-18H2,1-2H3,(H,35,37)(H,36,40);3-10,13-14H,11-12,15-16H2,1-2H3,(H,33,36);2-6,8,10-11H,7,9,12H2,1H3,(H,27,30)(H,28,32)(H,29,33);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);1H3;1H4;/i;;;;1D;;
InChIKeyINFVFSNXTHOPMO-VOEPQHRLSA-N
MW2264.16 g/mol
LogP20.14
Rot. Bonds24

About 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium

4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium (PubChem CID 167663386) has the molecular formula C105H101Br2Cl3F7N15O15V and a molecular weight of 2264.16 g/mol. Its IUPAC name is 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium.

Molecular Properties

Compound Name4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium
PubChem CID167663386
Molecular FormulaC105H101Br2Cl3F7N15O15V
Molecular Weight2264.16 g/mol
Exact Mass2259.44
IUPAC Name4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium
SMILESC.CN1CCC2(C1)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(-c4ccn[nH]4)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)O)cc32)cc1.[2H]CF.[V]
InChIInChI=1S/C31H28ClF2N5O4.C28H25BrClF2N3O4.C23H20ClF2N5O3.C21H21BrN2O4.CH3F.CH4.V/c1-38-14-12-30(18-38)27-24(25-11-13-35-37-25)15-20(28(40)36-21-5-9-23(10-6-21)43-31(32,33)34)16-26(27)39(29(30)41)17-19-3-7-22(42-2)8-4-19;1-34-12-11-27(16-34)24-22(29)13-18(25(36)33-19-5-9-21(10-6-19)39-28(30,31)32)14-23(24)35(26(27)37)15-17-3-7-20(38-2)8-4-17;1-31-9-7-22(12-31)19-16(17-6-8-27-30-17)10-13(11-18(19)29-21(22)33)20(32)28-14-2-4-15(5-3-14)34-23(24,25)26;1-23-8-7-21(12-23)18-16(22)9-14(19(25)26)10-17(18)24(20(21)27)11-13-3-5-15(28-2)6-4-13;1-2;;/h3-11,13,15-16H,12,14,17-18H2,1-2H3,(H,35,37)(H,36,40);3-10,13-14H,11-12,15-16H2,1-2H3,(H,33,36);2-6,8,10-11H,7,9,12H2,1H3,(H,27,30)(H,28,32)(H,29,33);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);1H3;1H4;/i;;;;1D;;
InChIKeyINFVFSNXTHOPMO-VOEPQHRLSA-N
XLogP20.14
TPSA340.33 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.16
LogP ≤ 520.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium?
The IUPAC name of 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium (CID 167663386) is 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium.
What is the SMILES notation for 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium?
The canonical SMILES for 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium is C.CN1CCC2(C1)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(-c4ccn[nH]4)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc32)cc1.COc1ccc(CN2C(=O)C3(CCN(C)C3)c3c(Br)cc(C(=O)O)cc32)cc1.[2H]CF.[V].
What is the InChIKey of 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium?
The InChIKey is INFVFSNXTHOPMO-VOEPQHRLSA-N. The full InChI is InChI=1S/C31H28ClF2N5O4.C28H25BrClF2N3O4.C23H20ClF2N5O3.C21H21BrN2O4.CH3F.CH4.V/c1-38-14-12-30(18-38)27-24(25-11-13-35-37-25)15-20(28(40)36-21-5-9-23(10-6-21)43-31(32,33)34)16-26(27)39(29(30)41)17-19-3-7-22(42-2)8-4-19;1-34-12-11-27(16-34)24-22(29)13-18(25(36)33-19-5-9-21(10-6-19)39-28(30,31)32)14-23(24)35(26(27)37)15-17-3-7-20(38-2)8-4-17;1-31-9-7-22(12-31)19-16(17-6-8-27-30-17)10-13(11-18(19)29-21(22)33)20(32)28-14-2-4-15(5-3-14)34-23(24,25)26;1-23-8-7-21(12-23)18-16(22)9-14(19(25)26)10-17(18)24(20(21)27)11-13-3-5-15(28-2)6-4-13;1-2;;/h3-11,13,15-16H,12,14,17-18H2,1-2H3,(H,35,37)(H,36,40);3-10,13-14H,11-12,15-16H2,1-2H3,(H,33,36);2-6,8,10-11H,7,9,12H2,1H3,(H,27,30)(H,28,32)(H,29,33);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);1H3;1H4;/i;;;;1D;;.
What are the key properties of 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium?
4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium has a molecular weight of 2264.16 g/mol, XLogP of 20.14, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxamide;4-bromo-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-6-carboxylic acid;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(4-methoxyphenyl)methyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[indole-3,3'-pyrrolidine]-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1'-methyl-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide;deuterio(fluoro)methane;methane;vanadium is sourced from PubChem (CID 167663386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).