2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

C54H62ClN9O7Si — CID 157121621

IUPAC2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(N(C)C)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C29H35ClN4O4Si.C25H27N5O3/c1-33(2)29(36)27(35)20-13-19(14-31-15-20)22-16-32-28-25(26(22)30)23(21-9-7-8-10-24(21)37-3)17-34(28)18-38-11-12-39(4,5)6;1-29(2)22-18(15-10-16(12-26-11-15)23(31)25(32)30(3)4)13-27-24-21(22)19(14-28-24)17-8-6-7-9-20(17)33-5/h7-10,13-17,27,35H,11-12,18H2,1-6H3;6-14,23,31H,1-5H3,(H,27,28)
InChIKeyAIAQFBIYQKBNGZ-UHFFFAOYSA-N
MW1012.68 g/mol
LogP9.35
Rot. Bonds16

About 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 157121621) has the molecular formula C54H62ClN9O7Si and a molecular weight of 1012.68 g/mol. Its IUPAC name is 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID157121621
Molecular FormulaC54H62ClN9O7Si
Molecular Weight1012.68 g/mol
Exact Mass1011.42
IUPAC Name2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(N(C)C)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C29H35ClN4O4Si.C25H27N5O3/c1-33(2)29(36)27(35)20-13-19(14-31-15-20)22-16-32-28-25(26(22)30)23(21-9-7-8-10-24(21)37-3)17-34(28)18-38-11-12-39(4,5)6;1-29(2)22-18(15-10-16(12-26-11-15)23(31)25(32)30(3)4)13-27-24-21(22)19(14-28-24)17-8-6-7-9-20(17)33-5/h7-10,13-17,27,35H,11-12,18H2,1-6H3;6-14,23,31H,1-5H3,(H,27,28)
InChIKeyAIAQFBIYQKBNGZ-UHFFFAOYSA-N
XLogP9.35
TPSA184.29 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.68
LogP ≤ 59.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide with MolForge

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Related Compounds

N-[2-[2-[5-[6-amino-5-[2-(dimethylamino)-1-hydroxy-2-oxoethyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenoxy]ethyl]-2-[5-[3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-oxidopyridin-1-ium-3-yl]-2-hydroxy-N-methylacetamide
CID 145491743
2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
CID 159393794
2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
CID 160513324
2-{5-[4-Chloro-3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyridin-3-yl}-2-hydroxy-N,N-dimethyl-acetamide
CID 25123580
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
CID 25124231
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide
CID 25156179
2-[5-[4-chloro-3-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537454
2-{5-[4-Chloro-3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyridin-3-yl}-2-hydroxy-N,N-dimethyl-acetamide
CID 57537513
2-[5-[4-chloro-3-(3-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537559
2-[5-[4-amino-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537568
2-[5-[4-chloro-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537595
2-[5-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537606

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 157121621) is 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(N(C)C)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12.
What is the InChIKey of 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is AIAQFBIYQKBNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O4Si.C25H27N5O3/c1-33(2)29(36)27(35)20-13-19(14-31-15-20)22-16-32-28-25(26(22)30)23(21-9-7-8-10-24(21)37-3)17-34(28)18-38-11-12-39(4,5)6;1-29(2)22-18(15-10-16(12-26-11-15)23(31)25(32)30(3)4)13-27-24-21(22)19(14-28-24)17-8-6-7-9-20(17)33-5/h7-10,13-17,27,35H,11-12,18H2,1-6H3;6-14,23,31H,1-5H3,(H,27,28).
What are the key properties of 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 1012.68 g/mol, XLogP of 9.35, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-(dimethylamino)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 157121621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).