6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide

C62H66FN17O5Si2 — CID 159971329

IUPAC6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.CNc1ccc(C(=O)Nc2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21
InChIInChI=1S/C23H28N6O2Si.C22H24FN5O2Si.C17H14N6O/c1-24-20-7-5-16(13-26-20)23(30)28-21-8-6-17-18-14-25-10-9-19(18)29(22(17)27-21)15-31-11-12-32(2,3)4;1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15;1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,26)(H,27,28,30);4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29);2-9H,1H3,(H,18,20)(H2,21,22,23,24)
InChIKeyOEOUEYHZRBTUMX-UHFFFAOYSA-N
MW1204.49 g/mol
LogP12.07
Rot. Bonds18

About 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide

6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide (PubChem CID 159971329) has the molecular formula C62H66FN17O5Si2 and a molecular weight of 1204.49 g/mol. Its IUPAC name is 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
PubChem CID159971329
Molecular FormulaC62H66FN17O5Si2
Molecular Weight1204.49 g/mol
Exact Mass1203.50
IUPAC Name6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.CNc1ccc(C(=O)Nc2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21
InChIInChI=1S/C23H28N6O2Si.C22H24FN5O2Si.C17H14N6O/c1-24-20-7-5-16(13-26-20)23(30)28-21-8-6-17-18-14-25-10-9-19(18)29(22(17)27-21)15-31-11-12-32(2,3)4;1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15;1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,26)(H,27,28,30);4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29);2-9H,1H3,(H,18,20)(H2,21,22,23,24)
InChIKeyOEOUEYHZRBTUMX-UHFFFAOYSA-N
XLogP12.07
TPSA271.48 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001204.49
LogP ≤ 512.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 166630036
[6-[[5-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166636517
US11312716, Example 34
CID 122446273
US11312716, Example 35
CID 122446303
N-[(3,4-difluorophenyl)methyl]-2-[methyl-[4-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 68160261
6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
CID 140838249
tert-butyl 4-[4-[4-[[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl]amino]piperidin-1-yl]butyl]piperidine-1-carboxylate
CID 142607728
2-amino-N-methylbenzamide;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-methyl-2-[[2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
CID 157257258
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157463229
acetamide;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 157716990
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
[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]-[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 161152467

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide (CID 159971329) is 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.CNc1ccc(C(=O)Nc2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21.
What is the InChIKey of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The InChIKey is OEOUEYHZRBTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2Si.C22H24FN5O2Si.C17H14N6O/c1-24-20-7-5-16(13-26-20)23(30)28-21-8-6-17-18-14-25-10-9-19(18)29(22(17)27-21)15-31-11-12-32(2,3)4;1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15;1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,26)(H,27,28,30);4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29);2-9H,1H3,(H,18,20)(H2,21,22,23,24).
What are the key properties of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide has a molecular weight of 1204.49 g/mol, XLogP of 12.07, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide;6-(methylamino)-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).