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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C111H121F4N29O6 — CID 159158044

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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1
InChIInChI=1S/C29H34F2N8O.C28H32F2N8O.C27H31N7O2.C27H24N6O2/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)17-22-5-4-21(15-29-22)30-27(36)26-24-12-19(3-6-25(24)31-32-26)20-11-18(13-28-14-20)16-34-9-7-23(35)8-10-34;1-33(2)17-21-10-9-20(15-29-21)30-27(34)26-24-13-18(8-11-25(24)31-32-26)19-12-23(16-28-14-19)35-22-6-4-3-5-7-22/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);3-6,11-15,23,35H,7-10,16-17H2,1-2H3,(H,30,36)(H,31,32);3-16H,17H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyKKDGPJGXGVTYJT-UHFFFAOYSA-N
MW2033.38 g/mol
LogP17.03
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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159158044) has the molecular formula C111H121F4N29O6 and a molecular weight of 2033.38 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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID159158044
Molecular FormulaC111H121F4N29O6
Molecular Weight2033.38 g/mol
Exact Mass2032.00
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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1
InChIInChI=1S/C29H34F2N8O.C28H32F2N8O.C27H31N7O2.C27H24N6O2/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)17-22-5-4-21(15-29-22)30-27(36)26-24-12-19(3-6-25(24)31-32-26)20-11-18(13-28-14-20)16-34-9-7-23(35)8-10-34;1-33(2)17-21-10-9-20(15-29-21)30-27(34)26-24-13-18(8-11-25(24)31-32-26)19-12-23(16-28-14-19)35-22-6-4-3-5-7-22/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);3-6,11-15,23,35H,7-10,16-17H2,1-2H3,(H,30,36)(H,31,32);3-16H,17H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyKKDGPJGXGVTYJT-UHFFFAOYSA-N
XLogP17.03
TPSA392.86 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002033.38
LogP ≤ 517.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89451275
N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458798
N-[2-(3,3-difluoropyrrolidin-1-yl)pyridin-4-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 118381335
N-[6-(3,3-difluoroazetidin-1-yl)pyridin-3-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 118381752
N-[2-(3,3-difluoroazetidin-1-yl)pyridin-4-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 118381845
5-(5-phenoxypyridin-3-yl)-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide
CID 118381912
5-(5-phenoxypyridin-3-yl)-N-[3-(trifluoromethyl)pyridin-2-yl]-1H-indazole-3-carboxamide
CID 118382122
5-(5-phenoxypyridin-3-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]-1H-indazole-3-carboxamide
CID 118382354
5-(5-phenoxypyridin-3-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]-1H-indazole-3-carboxamide
CID 118382482
5-(5-phenoxypyridin-3-yl)-N-[6-(trifluoromethyl)pyridin-2-yl]-1H-indazole-3-carboxamide
CID 118382531
1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
3-methyl-N-[2-[2-[5-(5-phenoxy-3-pyridinyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazol-1-yl]azetidin-1-yl]-4-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
CID 144929114

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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 159158044) 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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is KKDGPJGXGVTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N8O.C28H32F2N8O.C27H31N7O2.C27H24N6O2/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)17-22-5-4-21(15-29-22)30-27(36)26-24-12-19(3-6-25(24)31-32-26)20-11-18(13-28-14-20)16-34-9-7-23(35)8-10-34;1-33(2)17-21-10-9-20(15-29-21)30-27(34)26-24-13-18(8-11-25(24)31-32-26)19-12-23(16-28-14-19)35-22-6-4-3-5-7-22/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);3-6,11-15,23,35H,7-10,16-17H2,1-2H3,(H,30,36)(H,31,32);3-16H,17H2,1-2H3,(H,30,34)(H,31,32).
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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 2033.38 g/mol, XLogP of 17.03, 32 rotatable bonds, 9 hydrogen bond donors, and 27 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-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 159158044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).