2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone

C96H101F2N23O6 — CID 159815556

IUPAC2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
SMILESCC(C)(C)C(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2
InChIInChI=1S/C25H25FN6O.C25H26N6O2.C24H23FN6O2.C22H27N5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;25-18-2-1-3-20(10-18)33-14-24(32)31-19-5-7-23(31)17(9-19)13-30-22-6-4-15(8-16(22)11-27-30)21-12-26-29-28-21;1-22(2,3)21(28)27-18-5-7-20(27)16(9-18)13-26-19-6-4-14(8-15(19)12-25-26)17-10-23-24-11-17/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);1-4,6,8,10-12,17,19,23H,5,7,9,13-14H2,(H,26,28,29);4,6,8,10-12,16,18,20H,5,7,9,13H2,1-3H3,(H,23,24)
InChIKeyNLONIPAWKUSXOY-UHFFFAOYSA-N
MW1711.01 g/mol
LogP14.83
Rot. Bonds21

About 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone

2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone (PubChem CID 159815556) has the molecular formula C96H101F2N23O6 and a molecular weight of 1711.01 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
PubChem CID159815556
Molecular FormulaC96H101F2N23O6
Molecular Weight1711.01 g/mol
Exact Mass1709.83
IUPAC Name2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
SMILESCC(C)(C)C(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2
InChIInChI=1S/C25H25FN6O.C25H26N6O2.C24H23FN6O2.C22H27N5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;25-18-2-1-3-20(10-18)33-14-24(32)31-19-5-7-23(31)17(9-19)13-30-22-6-4-15(8-16(22)11-27-30)21-12-26-29-28-21;1-22(2,3)21(28)27-18-5-7-20(27)16(9-18)13-26-19-6-4-14(8-15(19)12-25-26)17-10-23-24-11-17/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);1-4,6,8,10-12,17,19,23H,5,7,9,13-14H2,(H,26,28,29);4,6,8,10-12,16,18,20H,5,7,9,13H2,1-3H3,(H,23,24)
InChIKeyNLONIPAWKUSXOY-UHFFFAOYSA-N
XLogP14.83
TPSA324.37 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.01
LogP ≤ 514.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The IUPAC name of 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone (CID 159815556) is 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone.
What is the SMILES notation for 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The canonical SMILES for 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone is CC(C)(C)C(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.
What is the InChIKey of 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The InChIKey is NLONIPAWKUSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.C25H26N6O2.C24H23FN6O2.C22H27N5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;25-18-2-1-3-20(10-18)33-14-24(32)31-19-5-7-23(31)17(9-19)13-30-22-6-4-15(8-16(22)11-27-30)21-12-26-29-28-21;1-22(2,3)21(28)27-18-5-7-20(27)16(9-18)13-26-19-6-4-14(8-15(19)12-25-26)17-10-23-24-11-17/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);1-4,6,8,10-12,17,19,23H,5,7,9,13-14H2,(H,26,28,29);4,6,8,10-12,16,18,20H,5,7,9,13H2,1-3H3,(H,23,24).
What are the key properties of 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone has a molecular weight of 1711.01 g/mol, XLogP of 14.83, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(3-fluorophenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone is sourced from PubChem (CID 159815556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).