3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone

C101H100N22O5 — CID 158785050

IUPAC3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone
SMILESN#Cc1cccc(CC(=O)N2C3CCC2C(Cn2ncc4cc(-c5cn[nH]c5)ccc42)C3)c1.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1cccnc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C26H24N6O.C26H27N5O.C25H25N5O2.C24H24N6O/c27-12-18-3-1-2-17(8-18)9-26(33)32-23-5-7-25(32)21(11-23)16-31-24-6-4-19(10-20(24)15-30-31)22-13-28-29-14-22;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;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;31-24(8-16-2-1-7-25-11-16)30-21-4-6-23(30)19(10-21)15-29-22-5-3-17(9-18(22)14-28-29)20-12-26-27-13-20/h1-4,6,8,10,13-15,21,23,25H,5,7,9,11,16H2,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27);1-3,5,7,9,11-14,19,21,23H,4,6,8,10,15H2,(H,26,27)
InChIKeyIROMHHFDZJKKLN-UHFFFAOYSA-N
MW1702.06 g/mol
LogP15.69
Rot. Bonds22

About 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone

3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone (PubChem CID 158785050) has the molecular formula C101H100N22O5 and a molecular weight of 1702.06 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone
PubChem CID158785050
Molecular FormulaC101H100N22O5
Molecular Weight1702.06 g/mol
Exact Mass1700.82
IUPAC Name3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone
SMILESN#Cc1cccc(CC(=O)N2C3CCC2C(Cn2ncc4cc(-c5cn[nH]c5)ccc42)C3)c1.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1cccnc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C26H24N6O.C26H27N5O.C25H25N5O2.C24H24N6O/c27-12-18-3-1-2-17(8-18)9-26(33)32-23-5-7-25(32)21(11-23)16-31-24-6-4-19(10-20(24)15-30-31)22-13-28-29-14-22;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;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;31-24(8-16-2-1-7-25-11-16)30-21-4-6-23(30)19(10-21)15-29-22-5-3-17(9-18(22)14-28-29)20-12-26-27-13-20/h1-4,6,8,10,13-15,21,23,25H,5,7,9,11,16H2,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27);1-3,5,7,9,11-14,19,21,23H,4,6,8,10,15H2,(H,26,27)
InChIKeyIROMHHFDZJKKLN-UHFFFAOYSA-N
XLogP15.69
TPSA313.15 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.06
LogP ≤ 515.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

3-[3-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-oxopropyl]benzonitrile
CID 154402536
2-methyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118682253
cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
CID 158611608
3-(4-chlorophenyl)-1-[2-[3-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 130455789
3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118681820
3-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 154402542
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
CID 118674487
3-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118683542
phenyl-[3-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674511
3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
CID 118682245
1-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 118354823
1-[4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118354885

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone (CID 158785050) is 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone is N#Cc1cccc(CC(=O)N2C3CCC2C(Cn2ncc4cc(-c5cn[nH]c5)ccc42)C3)c1.O=C(CCc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(COc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1cccnc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.
What is the InChIKey of 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone?
The InChIKey is IROMHHFDZJKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.C26H27N5O.C25H25N5O2.C24H24N6O/c27-12-18-3-1-2-17(8-18)9-26(33)32-23-5-7-25(32)21(11-23)16-31-24-6-4-19(10-20(24)15-30-31)22-13-28-29-14-22;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;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;31-24(8-16-2-1-7-25-11-16)30-21-4-6-23(30)19(10-21)15-29-22-5-3-17(9-18(22)14-28-29)20-12-26-27-13-20/h1-4,6,8,10,13-15,21,23,25H,5,7,9,11,16H2,(H,28,29);1-5,7,9,12,14-16,21,23,25H,6,8,10-11,13,17H2,(H,27,28);1-6,8,10,12-14,19,21,24H,7,9,11,15-16H2,(H,26,27);1-3,5,7,9,11-14,19,21,23H,4,6,8,10,15H2,(H,26,27).
What are the key properties of 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone?
3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone has a molecular weight of 1702.06 g/mol, XLogP of 15.69, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile;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;1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 158785050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).