3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile

C126H126F5N27O6 — CID 159065782

IUPAC3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile
SMILESN#Cc1ccccc1CCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.N#Cc1ccccc1OCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cccc(F)c1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H26N6O.2C25H25F2N5O.C25H26FN5O.C25H24N6O2/c27-14-22-4-2-1-3-20(22)6-8-26(33)31-11-9-19(10-12-31)18-32-25-7-5-21(13-23(25)17-30-32)24-15-28-29-16-24;26-22-4-1-18(23(27)12-22)3-6-25(33)31-9-7-17(8-10-31)16-32-24-5-2-19(11-20(24)15-30-32)21-13-28-29-14-21;26-22-3-1-2-18(25(22)27)5-7-24(33)31-10-8-17(9-11-31)16-32-23-6-4-19(12-20(23)15-30-32)21-13-28-29-14-21;26-23-5-1-18(2-6-23)3-8-25(32)30-11-9-19(10-12-30)17-31-24-7-4-20(13-21(24)16-29-31)22-14-27-28-15-22;26-12-20-3-1-2-4-24(20)33-17-25(32)30-9-7-18(8-10-30)16-31-23-6-5-19(11-21(23)15-29-31)22-13-27-28-14-22/h1-5,7,13,15-17,19H,6,8-12,18H2,(H,28,29);1-2,4-5,11-15,17H,3,6-10,16H2,(H,28,29);1-4,6,12-15,17H,5,7-11,16H2,(H,28,29);1-2,4-7,13-16,19H,3,8-12,17H2,(H,27,28);1-6,11,13-15,18H,7-10,16-17H2,(H,27,28)
InChIKeyJZAPDYQCQJXNOW-UHFFFAOYSA-N
MW2209.57 g/mol
LogP21.37
Rot. Bonds30

About 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile

3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile (PubChem CID 159065782) has the molecular formula C126H126F5N27O6 and a molecular weight of 2209.57 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile
PubChem CID159065782
Molecular FormulaC126H126F5N27O6
Molecular Weight2209.57 g/mol
Exact Mass2208.03
IUPAC Name3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile
SMILESN#Cc1ccccc1CCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.N#Cc1ccccc1OCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cccc(F)c1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H26N6O.2C25H25F2N5O.C25H26FN5O.C25H24N6O2/c27-14-22-4-2-1-3-20(22)6-8-26(33)31-11-9-19(10-12-31)18-32-25-7-5-21(13-23(25)17-30-32)24-15-28-29-16-24;26-22-4-1-18(23(27)12-22)3-6-25(33)31-9-7-17(8-10-31)16-32-24-5-2-19(11-20(24)15-30-32)21-13-28-29-14-21;26-22-3-1-2-18(25(22)27)5-7-24(33)31-10-8-17(9-11-31)16-32-23-6-4-19(12-20(23)15-30-32)21-13-28-29-14-21;26-23-5-1-18(2-6-23)3-8-25(32)30-11-9-19(10-12-30)17-31-24-7-4-20(13-21(24)16-29-31)22-14-27-28-15-22;26-12-20-3-1-2-4-24(20)33-17-25(32)30-9-7-18(8-10-30)16-31-23-6-5-19(11-21(23)15-29-31)22-13-27-28-14-22/h1-5,7,13,15-17,19H,6,8-12,18H2,(H,28,29);1-2,4-5,11-15,17H,3,6-10,16H2,(H,28,29);1-4,6,12-15,17H,5,7-11,16H2,(H,28,29);1-2,4-7,13-16,19H,3,8-12,17H2,(H,27,28);1-6,11,13-15,18H,7-10,16-17H2,(H,27,28)
InChIKeyJZAPDYQCQJXNOW-UHFFFAOYSA-N
XLogP21.37
TPSA390.86 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.57
LogP ≤ 521.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile?
The IUPAC name of 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile (CID 159065782) is 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile is N#Cc1ccccc1CCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.N#Cc1ccccc1OCC(=O)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(F)cc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cccc(F)c1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile?
The InChIKey is JZAPDYQCQJXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O.2C25H25F2N5O.C25H26FN5O.C25H24N6O2/c27-14-22-4-2-1-3-20(22)6-8-26(33)31-11-9-19(10-12-31)18-32-25-7-5-21(13-23(25)17-30-32)24-15-28-29-16-24;26-22-4-1-18(23(27)12-22)3-6-25(33)31-9-7-17(8-10-31)16-32-24-5-2-19(11-20(24)15-30-32)21-13-28-29-14-21;26-22-3-1-2-18(25(22)27)5-7-24(33)31-10-8-17(9-11-31)16-32-23-6-4-19(12-20(23)15-30-32)21-13-28-29-14-21;26-23-5-1-18(2-6-23)3-8-25(32)30-11-9-19(10-12-30)17-31-24-7-4-20(13-21(24)16-29-31)22-14-27-28-15-22;26-12-20-3-1-2-4-24(20)33-17-25(32)30-9-7-18(8-10-30)16-31-23-6-5-19(11-21(23)15-29-31)22-13-27-28-14-22/h1-5,7,13,15-17,19H,6,8-12,18H2,(H,28,29);1-2,4-5,11-15,17H,3,6-10,16H2,(H,28,29);1-4,6,12-15,17H,5,7-11,16H2,(H,28,29);1-2,4-7,13-16,19H,3,8-12,17H2,(H,27,28);1-6,11,13-15,18H,7-10,16-17H2,(H,27,28).
What are the key properties of 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile?
3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile has a molecular weight of 2209.57 g/mol, XLogP of 21.37, 30 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(2,4-difluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-[2-oxo-2-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]ethoxy]benzonitrile;2-[3-oxo-3-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propyl]benzonitrile is sourced from PubChem (CID 159065782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).