1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one

C130H121Cl4FN10O8 — CID 167680277

IUPAC1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one
SMILESCC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)c(F)c4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)cc4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1ccc(Cl)c3cnn(Cc4ccc(-c5cccc(C#N)c5)cc4)c13)C2.[C-]#[N+]c1ccc(-c2ccc(Cn3ncc4c(Cl)ccc(C(=O)CC5CC6(CC(CC(C)=O)C6)C5)c43)cc2)cc1
InChIInChI=1S/2C33H30ClN3O2.C32H30ClFN2O2.C32H31ClN2O2/c1-21(38)13-23-15-33(16-23)17-24(18-33)14-31(39)28-11-12-30(34)29-19-36-37(32(28)29)20-22-3-5-25(6-4-22)26-7-9-27(35-2)10-8-26;1-21(38)11-24-14-33(15-24)16-25(17-33)13-31(39)28-9-10-30(34)29-19-36-37(32(28)29)20-22-5-7-26(8-6-22)27-4-2-3-23(12-27)18-35;1-20(37)9-22-14-32(15-22)16-23(17-32)11-30(38)28-13-26(33)12-25-18-35-36(31(25)28)19-21-7-8-27(29(34)10-21)24-5-3-2-4-6-24;1-21(36)11-23-15-32(16-23)17-24(18-32)12-30(37)29-14-28(33)13-27-19-34-35(31(27)29)20-22-7-9-26(10-8-22)25-5-3-2-4-6-25/h3-12,19,23-24H,13-18,20H2,1H3;2-10,12,19,24-25H,11,13-17,20H2,1H3;2-8,10,12-13,18,22-23H,9,11,14-17,19H2,1H3;2-10,13-14,19,23-24H,11-12,15-18,20H2,1H3
InChIKeyVKZGHRWIIWYPCZ-UHFFFAOYSA-N
MW2112.27 g/mol
LogP31.61
Rot. Bonds32

About 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one

1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one (PubChem CID 167680277) has the molecular formula C130H121Cl4FN10O8 and a molecular weight of 2112.27 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one
PubChem CID167680277
Molecular FormulaC130H121Cl4FN10O8
Molecular Weight2112.27 g/mol
Exact Mass2108.81
IUPAC Name1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one
SMILESCC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)c(F)c4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)cc4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1ccc(Cl)c3cnn(Cc4ccc(-c5cccc(C#N)c5)cc4)c13)C2.[C-]#[N+]c1ccc(-c2ccc(Cn3ncc4c(Cl)ccc(C(=O)CC5CC6(CC(CC(C)=O)C6)C5)c43)cc2)cc1
InChIInChI=1S/2C33H30ClN3O2.C32H30ClFN2O2.C32H31ClN2O2/c1-21(38)13-23-15-33(16-23)17-24(18-33)14-31(39)28-11-12-30(34)29-19-36-37(32(28)29)20-22-3-5-25(6-4-22)26-7-9-27(35-2)10-8-26;1-21(38)11-24-14-33(15-24)16-25(17-33)13-31(39)28-9-10-30(34)29-19-36-37(32(28)29)20-22-5-7-26(8-6-22)27-4-2-3-23(12-27)18-35;1-20(37)9-22-14-32(15-22)16-23(17-32)11-30(38)28-13-26(33)12-25-18-35-36(31(25)28)19-21-7-8-27(29(34)10-21)24-5-3-2-4-6-24;1-21(36)11-23-15-32(16-23)17-24(18-32)12-30(37)29-14-28(33)13-27-19-34-35(31(27)29)20-22-7-9-26(10-8-22)25-5-3-2-4-6-25/h3-12,19,23-24H,13-18,20H2,1H3;2-10,12,19,24-25H,11,13-17,20H2,1H3;2-8,10,12-13,18,22-23H,9,11,14-17,19H2,1H3;2-10,13-14,19,23-24H,11-12,15-18,20H2,1H3
InChIKeyVKZGHRWIIWYPCZ-UHFFFAOYSA-N
XLogP31.61
TPSA235.99 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002112.27
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one?
The IUPAC name of 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one (CID 167680277) is 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one.
What is the SMILES notation for 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one?
The canonical SMILES for 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one is CC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)c(F)c4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1cc(Cl)cc3cnn(Cc4ccc(-c5ccccc5)cc4)c13)C2.CC(=O)CC1CC2(C1)CC(CC(=O)c1ccc(Cl)c3cnn(Cc4ccc(-c5cccc(C#N)c5)cc4)c13)C2.[C-]#[N+]c1ccc(-c2ccc(Cn3ncc4c(Cl)ccc(C(=O)CC5CC6(CC(CC(C)=O)C6)C5)c43)cc2)cc1.
What is the InChIKey of 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one?
The InChIKey is VKZGHRWIIWYPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H30ClN3O2.C32H30ClFN2O2.C32H31ClN2O2/c1-21(38)13-23-15-33(16-23)17-24(18-33)14-31(39)28-11-12-30(34)29-19-36-37(32(28)29)20-22-3-5-25(6-4-22)26-7-9-27(35-2)10-8-26;1-21(38)11-24-14-33(15-24)16-25(17-33)13-31(39)28-9-10-30(34)29-19-36-37(32(28)29)20-22-5-7-26(8-6-22)27-4-2-3-23(12-27)18-35;1-20(37)9-22-14-32(15-22)16-23(17-32)11-30(38)28-13-26(33)12-25-18-35-36(31(25)28)19-21-7-8-27(29(34)10-21)24-5-3-2-4-6-24;1-21(36)11-23-15-32(16-23)17-24(18-32)12-30(37)29-14-28(33)13-27-19-34-35(31(27)29)20-22-7-9-26(10-8-22)25-5-3-2-4-6-25/h3-12,19,23-24H,13-18,20H2,1H3;2-10,12,19,24-25H,11,13-17,20H2,1H3;2-8,10,12-13,18,22-23H,9,11,14-17,19H2,1H3;2-10,13-14,19,23-24H,11-12,15-18,20H2,1H3.
What are the key properties of 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one?
1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one has a molecular weight of 2112.27 g/mol, XLogP of 31.61, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;1-[2-[2-[4-chloro-1-[[4-(4-isocyanophenyl)phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one;3-[4-[[4-chloro-7-[2-[6-(2-oxopropyl)spiro[3.3]heptan-2-yl]acetyl]indazol-1-yl]methyl]phenyl]benzonitrile;1-[2-[2-[5-chloro-1-[(4-phenylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptan-6-yl]propan-2-one is sourced from PubChem (CID 167680277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).