3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C54H76ClN19O9Si2 — CID 159131848

IUPAC3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCO.COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.COCCOc1ccnc2c1c(-c1ccnc(N)n1)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2c(=O)cc[nH]c21.[H]/N=N/N=NCl
InChIInChI=1S/C20H29N5O3Si.C17H23N5O2Si.C14H15N5O2.C3H8O2.ClHN4/c1-26-9-10-28-17-6-8-22-19-18(17)15(16-5-7-23-20(21)24-16)13-25(19)14-27-11-12-29(2,3)4;1-25(2,3)9-8-24-11-22-10-12(13-4-6-20-17(18)21-13)15-14(23)5-7-19-16(15)22;1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10;1-5-3-2-4;1-3-5-4-2/h5-8,13H,9-12,14H2,1-4H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3,(H,19,23)(H2,18,20,21);2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19);4H,2-3H2,1H3;2H/b;;;;4-2+,5-3?
InChIKeyKGZNAWZADNKHCL-PYHMGZBWSA-N
MW1226.95 g/mol
LogP8.88
Rot. Bonds24

About 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 159131848) has the molecular formula C54H76ClN19O9Si2 and a molecular weight of 1226.95 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID159131848
Molecular FormulaC54H76ClN19O9Si2
Molecular Weight1226.95 g/mol
Exact Mass1225.53
IUPAC Name3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCO.COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.COCCOc1ccnc2c1c(-c1ccnc(N)n1)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2c(=O)cc[nH]c21.[H]/N=N/N=NCl
InChIInChI=1S/C20H29N5O3Si.C17H23N5O2Si.C14H15N5O2.C3H8O2.ClHN4/c1-26-9-10-28-17-6-8-22-19-18(17)15(16-5-7-23-20(21)24-16)13-25(19)14-27-11-12-29(2,3)4;1-25(2,3)9-8-24-11-22-10-12(13-4-6-20-17(18)21-13)15-14(23)5-7-19-16(15)22;1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10;1-5-3-2-4;1-3-5-4-2/h5-8,13H,9-12,14H2,1-4H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3,(H,19,23)(H2,18,20,21);2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19);4H,2-3H2,1H3;2H/b;;;;4-2+,5-3?
InChIKeyKGZNAWZADNKHCL-PYHMGZBWSA-N
XLogP8.88
TPSA385.46 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.95
LogP ≤ 58.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-(chloromethoxy)ethyl-trimethylsilane;1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone;4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylpyrimidin-2-amine;4-[4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxybut-3-en-2-one;4-[4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-6-methylpyrimidin-2-amine
CID 157894128
tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-methyl-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;[6-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-3-pyridinyl]-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 159748171
tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 160309601
2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine
CID 162202766

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 159131848) is 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is COCCO.COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.COCCOc1ccnc2c1c(-c1ccnc(N)n1)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2c(=O)cc[nH]c21.[H]/N=N/N=NCl.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KGZNAWZADNKHCL-PYHMGZBWSA-N. The full InChI is InChI=1S/C20H29N5O3Si.C17H23N5O2Si.C14H15N5O2.C3H8O2.ClHN4/c1-26-9-10-28-17-6-8-22-19-18(17)15(16-5-7-23-20(21)24-16)13-25(19)14-27-11-12-29(2,3)4;1-25(2,3)9-8-24-11-22-10-12(13-4-6-20-17(18)21-13)15-14(23)5-7-19-16(15)22;1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10;1-5-3-2-4;1-3-5-4-2/h5-8,13H,9-12,14H2,1-4H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3,(H,19,23)(H2,18,20,21);2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19);4H,2-3H2,1H3;2H/b;;;;4-2+,5-3?.
What are the key properties of 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 1226.95 g/mol, XLogP of 8.88, 24 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-b]pyridin-4-one;chloro(diazenyl)diazene;2-methoxyethanol;4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[4-(2-methoxyethoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 159131848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).