3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one

C103H107N21O5 — CID 161056814

IUPAC3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
SMILESCc1ccccc1CCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C27H29N5O.C26H27N5O.C25H26N6O.C25H25N5O2/c1-18-4-2-3-5-19(18)7-11-27(33)32-24-8-10-26(32)22(13-24)17-31-25-9-6-20(12-21(25)16-30-31)23-14-28-29-15-23;32-26(11-6-18-4-2-1-3-5-18)31-23-8-10-25(31)21(13-23)17-30-24-9-7-19(12-20(24)16-29-30)22-14-27-28-15-22;32-25(11-6-17-4-2-1-3-5-17)31-21-8-10-24(31)20(13-21)16-30-23-9-7-18(12-19(23)14-27-30)22-15-26-29-28-22;31-25(16-32-22-4-2-1-3-5-22)30-21-7-9-24(30)19(11-21)15-29-23-8-6-17(10-18(23)14-28-29)20-12-26-27-13-20/h2-6,9,12,14-16,22,24,26H,7-8,10-11,13,17H2,1H3,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-5,7,9,12,14-15,20-21,24H,6,8,10-11,13,16H2,(H,26,28,29);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27)
InChIKeyUCWBYBBQMBUOLY-UHFFFAOYSA-N
MW1719.13 g/mol
LogP16.90
Rot. Bonds24

About 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one

3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one (PubChem CID 161056814) has the molecular formula C103H107N21O5 and a molecular weight of 1719.13 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
PubChem CID161056814
Molecular FormulaC103H107N21O5
Molecular Weight1719.13 g/mol
Exact Mass1717.88
IUPAC Name3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
SMILESCc1ccccc1CCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C27H29N5O.C26H27N5O.C25H26N6O.C25H25N5O2/c1-18-4-2-3-5-19(18)7-11-27(33)32-24-8-10-26(32)22(13-24)17-31-25-9-6-20(12-21(25)16-30-31)23-14-28-29-15-23;32-26(11-6-18-4-2-1-3-5-18)31-23-8-10-25(31)21(13-23)17-30-24-9-7-19(12-20(24)16-29-30)22-14-27-28-15-22;32-25(11-6-17-4-2-1-3-5-17)31-21-8-10-24(31)20(13-21)16-30-23-9-7-18(12-19(23)14-27-30)22-15-26-29-28-22;31-25(16-32-22-4-2-1-3-5-22)30-21-7-9-24(30)19(11-21)15-29-23-8-6-17(10-18(23)14-28-29)20-12-26-27-13-20/h2-6,9,12,14-16,22,24,26H,7-8,10-11,13,17H2,1H3,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-5,7,9,12,14-15,20-21,24H,6,8,10-11,13,16H2,(H,26,28,29);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27)
InChIKeyUCWBYBBQMBUOLY-UHFFFAOYSA-N
XLogP16.90
TPSA289.36 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.13
LogP ≤ 516.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one (CID 161056814) is 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one is Cc1ccccc1CCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.
What is the InChIKey of 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one?
The InChIKey is UCWBYBBQMBUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C26H27N5O.C25H26N6O.C25H25N5O2/c1-18-4-2-3-5-19(18)7-11-27(33)32-24-8-10-26(32)22(13-24)17-31-25-9-6-20(12-21(25)16-30-31)23-14-28-29-15-23;32-26(11-6-18-4-2-1-3-5-18)31-23-8-10-25(31)21(13-23)17-30-24-9-7-19(12-20(24)16-29-30)22-14-27-28-15-22;32-25(11-6-17-4-2-1-3-5-17)31-21-8-10-24(31)20(13-21)16-30-23-9-7-18(12-19(23)14-27-30)22-15-26-29-28-22;31-25(16-32-22-4-2-1-3-5-22)30-21-7-9-24(30)19(11-21)15-29-23-8-6-17(10-18(23)14-28-29)20-12-26-27-13-20/h2-6,9,12,14-16,22,24,26H,7-8,10-11,13,17H2,1H3,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-5,7,9,12,14-15,20-21,24H,6,8,10-11,13,16H2,(H,26,28,29);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27).
What are the key properties of 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one?
3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one has a molecular weight of 1719.13 g/mol, XLogP of 16.90, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-phenoxy-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-phenyl-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one is sourced from PubChem (CID 161056814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).