N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde

C56H69F3N12O4Si — CID 158055130

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(C)n3COCC[Si](C)(C)C)c1.Cc1cc2cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cnc2[nH]1.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C29H38N6O2Si.C23H24N6O.C2HF3O.C2H6/c1-19-11-27(30)34-21(3)26(19)17-33-29(36)23-7-8-31-25(15-23)14-22-13-24-12-20(2)35(28(24)32-16-22)18-37-9-10-38(4,5)6;1-13-6-21(24)29-15(3)20(13)12-27-23(30)17-4-5-25-19(10-17)9-16-8-18-7-14(2)28-22(18)26-11-16;3-2(4,5)1-6;1-2/h7-8,11-13,15-16H,9-10,14,17-18H2,1-6H3,(H2,30,34)(H,33,36);4-8,10-11H,9,12H2,1-3H3,(H2,24,29)(H,26,28)(H,27,30);1H;1-2H3/i;;;1D
InChIKeyFJYMDPIDRKRUED-PBJKEDEQSA-N
MW1060.33 g/mol
LogP10.32
Rot. Bonds15

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde (PubChem CID 158055130) has the molecular formula C56H69F3N12O4Si and a molecular weight of 1060.33 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde
PubChem CID158055130
Molecular FormulaC56H69F3N12O4Si
Molecular Weight1060.33 g/mol
Exact Mass1059.53
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(C)n3COCC[Si](C)(C)C)c1.Cc1cc2cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cnc2[nH]1.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C29H38N6O2Si.C23H24N6O.C2HF3O.C2H6/c1-19-11-27(30)34-21(3)26(19)17-33-29(36)23-7-8-31-25(15-23)14-22-13-24-12-20(2)35(28(24)32-16-22)18-37-9-10-38(4,5)6;1-13-6-21(24)29-15(3)20(13)12-27-23(30)17-4-5-25-19(10-17)9-16-8-18-7-14(2)28-22(18)26-11-16;3-2(4,5)1-6;1-2/h7-8,11-13,15-16H,9-10,14,17-18H2,1-6H3,(H2,30,34)(H,33,36);4-8,10-11H,9,12H2,1-3H3,(H2,24,29)(H,26,28)(H,27,30);1H;1-2H3/i;;;1D
InChIKeyFJYMDPIDRKRUED-PBJKEDEQSA-N
XLogP10.32
TPSA234.60 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.33
LogP ≤ 510.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

US10023557, Example 152
CID 124181930
US10023557, Example 215
CID 124182012
7-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino]-4-(6-(trifluorometh-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164104
7-[[5-[3,3-Difluoro-4-(methylamino)-1-piperidyl]-2-pyridyl]amino]-4-(1-methylpyrrolo [2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156164235
6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134807855
7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156153164
4-(2,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156162727
7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156162865
7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156163455
7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-(2-methyl-1H)-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156163473
7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156163875
N-methyl-2-[[2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
CID 71272714

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde (CID 158055130) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3c(c2)cc(C)n3COCC[Si](C)(C)C)c1.Cc1cc2cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cnc2[nH]1.O=CC(F)(F)F.[2H]CC.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde?
The InChIKey is FJYMDPIDRKRUED-PBJKEDEQSA-N. The full InChI is InChI=1S/C29H38N6O2Si.C23H24N6O.C2HF3O.C2H6/c1-19-11-27(30)34-21(3)26(19)17-33-29(36)23-7-8-31-25(15-23)14-22-13-24-12-20(2)35(28(24)32-16-22)18-37-9-10-38(4,5)6;1-13-6-21(24)29-15(3)20(13)12-27-23(30)17-4-5-25-19(10-17)9-16-8-18-7-14(2)28-22(18)26-11-16;3-2(4,5)1-6;1-2/h7-8,11-13,15-16H,9-10,14,17-18H2,1-6H3,(H2,30,34)(H,33,36);4-8,10-11H,9,12H2,1-3H3,(H2,24,29)(H,26,28)(H,27,30);1H;1-2H3/i;;;1D.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde has a molecular weight of 1060.33 g/mol, XLogP of 10.32, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methyl]pyridine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158055130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).