5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide

C113H123F4N27O6 — CID 160572511

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide
SMILESCN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1
InChIInChI=1S/C29H34F2N8O.C28H32F2N8O.C28H32N6O2.C28H25N5O2/c1-37(2)12-13-38(3)26-7-5-23(18-33-26)34-28(40)27-24-15-21(4-6-25(24)35-36-27)22-14-20(16-32-17-22)19-39-10-8-29(30,31)9-11-39;1-36(2)10-11-37(3)25-7-5-22(16-32-25)33-27(39)26-23-13-20(4-6-24(23)34-35-26)21-12-19(14-31-15-21)17-38-9-8-28(29,30)18-38;1-33(2)18-23-5-4-22(15-30-23)32-28(36)26-16-31-27-6-3-20(12-25(26)27)21-11-19(13-29-14-21)17-34-9-7-24(35)8-10-34;1-33(2)18-22-10-9-21(15-30-22)32-28(34)26-17-31-27-11-8-19(13-25(26)27)20-12-24(16-29-14-20)35-23-6-4-3-5-7-23/h4-7,14-18H,8-13,19H2,1-3H3,(H,34,40)(H,35,36);4-7,12-16H,8-11,17-18H2,1-3H3,(H,33,39)(H,34,35);3-6,11-16,24,31,35H,7-10,17-18H2,1-2H3,(H,32,36);3-17,31H,18H2,1-2H3,(H,32,34)
InChIKeyRASQCFUAOHAHSJ-UHFFFAOYSA-N
MW2031.40 g/mol
LogP18.24
Rot. Bonds32

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide (PubChem CID 160572511) has the molecular formula C113H123F4N27O6 and a molecular weight of 2031.40 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide
PubChem CID160572511
Molecular FormulaC113H123F4N27O6
Molecular Weight2031.40 g/mol
Exact Mass2030.01
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide
SMILESCN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1
InChIInChI=1S/C29H34F2N8O.C28H32F2N8O.C28H32N6O2.C28H25N5O2/c1-37(2)12-13-38(3)26-7-5-23(18-33-26)34-28(40)27-24-15-21(4-6-25(24)35-36-27)22-14-20(16-32-17-22)19-39-10-8-29(30,31)9-11-39;1-36(2)10-11-37(3)25-7-5-22(16-32-25)33-27(39)26-23-13-20(4-6-24(23)34-35-26)21-12-19(14-31-15-21)17-38-9-8-28(29,30)18-38;1-33(2)18-23-5-4-22(15-30-23)32-28(36)26-16-31-27-6-3-20(12-25(26)27)21-11-19(13-29-14-21)17-34-9-7-24(35)8-10-34;1-33(2)18-22-10-9-21(15-30-22)32-28(34)26-17-31-27-11-8-19(13-25(26)27)20-12-24(16-29-14-20)35-23-6-4-3-5-7-23/h4-7,14-18H,8-13,19H2,1-3H3,(H,34,40)(H,35,36);4-7,12-16H,8-11,17-18H2,1-3H3,(H,33,39)(H,34,35);3-6,11-16,24,31,35H,7-10,17-18H2,1-2H3,(H,32,36);3-17,31H,18H2,1-2H3,(H,32,34)
InChIKeyRASQCFUAOHAHSJ-UHFFFAOYSA-N
XLogP18.24
TPSA367.08 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002031.40
LogP ≤ 518.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide (CID 160572511) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide is CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide?
The InChIKey is RASQCFUAOHAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N8O.C28H32F2N8O.C28H32N6O2.C28H25N5O2/c1-37(2)12-13-38(3)26-7-5-23(18-33-26)34-28(40)27-24-15-21(4-6-25(24)35-36-27)22-14-20(16-32-17-22)19-39-10-8-29(30,31)9-11-39;1-36(2)10-11-37(3)25-7-5-22(16-32-25)33-27(39)26-23-13-20(4-6-24(23)34-35-26)21-12-19(14-31-15-21)17-38-9-8-28(29,30)18-38;1-33(2)18-23-5-4-22(15-30-23)32-28(36)26-16-31-27-6-3-20(12-25(26)27)21-11-19(13-29-14-21)17-34-9-7-24(35)8-10-34;1-33(2)18-22-10-9-21(15-30-22)32-28(34)26-17-31-27-11-8-19(13-25(26)27)20-12-24(16-29-14-20)35-23-6-4-3-5-7-23/h4-7,14-18H,8-13,19H2,1-3H3,(H,34,40)(H,35,36);4-7,12-16H,8-11,17-18H2,1-3H3,(H,33,39)(H,34,35);3-6,11-16,24,31,35H,7-10,17-18H2,1-2H3,(H,32,36);3-17,31H,18H2,1-2H3,(H,32,34).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide has a molecular weight of 2031.40 g/mol, XLogP of 18.24, 32 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 160572511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).