N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide

C56H58F9N21O3 — CID 159954684

IUPACN,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
SMILESCCNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CN(C)C(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/2C19H20F3N7O.C18H18F3N7O/c1-28(2)18(30)13-10-29(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;1-2-23-18(30)13-10-29(9-8-24-13)14-6-5-12(19(20,21)22)16(26-14)15-11-4-3-7-25-17(11)28-27-15;1-22-17(29)12-9-28(8-7-23-12)13-5-4-11(18(19,20)21)15(25-13)14-10-3-2-6-24-16(10)27-26-14/h3-7,13,23H,8-10H2,1-2H3,(H,24,26,27);3-7,13,24H,2,8-10H2,1H3,(H,23,30)(H,25,27,28);2-6,12,23H,7-9H2,1H3,(H,22,29)(H,24,26,27)
InChIKeyOCOGZGYFQAMFEK-UHFFFAOYSA-N
MW1244.21 g/mol
LogP5.42
Rot. Bonds10

About N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide

N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide (PubChem CID 159954684) has the molecular formula C56H58F9N21O3 and a molecular weight of 1244.21 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
PubChem CID159954684
Molecular FormulaC56H58F9N21O3
Molecular Weight1244.21 g/mol
Exact Mass1243.49
IUPAC NameN,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
SMILESCCNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CN(C)C(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/2C19H20F3N7O.C18H18F3N7O/c1-28(2)18(30)13-10-29(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;1-2-23-18(30)13-10-29(9-8-24-13)14-6-5-12(19(20,21)22)16(26-14)15-11-4-3-7-25-17(11)28-27-15;1-22-17(29)12-9-28(8-7-23-12)13-5-4-11(18(19,20)21)15(25-13)14-10-3-2-6-24-16(10)27-26-14/h3-7,13,23H,8-10H2,1-2H3,(H,24,26,27);3-7,13,24H,2,8-10H2,1H3,(H,23,30)(H,25,27,28);2-6,12,23H,7-9H2,1H3,(H,22,29)(H,24,26,27)
InChIKeyOCOGZGYFQAMFEK-UHFFFAOYSA-N
XLogP5.42
TPSA287.70 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001244.21
LogP ≤ 55.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide with MolForge

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Related Compounds

Sch772984
CID 24866313
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
(3S)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 70997213
[(1S,5R)-3-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259917
[(1S,5R)-3-[10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136240948
2-(dimethylamino)-1-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanone
CID 11636404
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
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US11111247, Example 9
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US11111247, Example 5
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[6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
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N-(6-(1-(1-((1H-pyrazol-3-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide (CID 159954684) is N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide is CCNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CN(C)C(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CNC(=O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The InChIKey is OCOGZGYFQAMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20F3N7O.C18H18F3N7O/c1-28(2)18(30)13-10-29(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;1-2-23-18(30)13-10-29(9-8-24-13)14-6-5-12(19(20,21)22)16(26-14)15-11-4-3-7-25-17(11)28-27-15;1-22-17(29)12-9-28(8-7-23-12)13-5-4-11(18(19,20)21)15(25-13)14-10-3-2-6-24-16(10)27-26-14/h3-7,13,23H,8-10H2,1-2H3,(H,24,26,27);3-7,13,24H,2,8-10H2,1H3,(H,23,30)(H,25,27,28);2-6,12,23H,7-9H2,1H3,(H,22,29)(H,24,26,27).
What are the key properties of N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide has a molecular weight of 1244.21 g/mol, XLogP of 5.42, 10 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-ethyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide;N-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide is sourced from PubChem (CID 159954684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).