2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride

C79H96BCl6N15O12Si4 — CID 161271469

IUPAC2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride
SMILESC=CC(=O)Cc1cccc(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1.C=CC(=O)Cl.C[Si](C)(C)CCOCn1ccc2c(-c3cccc(N)c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(-c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.O=[N+]([O-])c1cccc(B(O)O)c1
InChIInChI=1S/C22H26ClN3O2Si.C18H21ClN4O3Si.C18H23ClN4OSi.C12H17Cl2N3OSi.C6H6BNO4.C3H3ClO/c1-5-18(27)14-16-7-6-8-17(13-16)20-19-9-10-26(21(19)25-22(23)24-20)15-28-11-12-29(2,3)4;1-27(2,3)10-9-26-12-22-8-7-15-16(20-18(19)21-17(15)22)13-5-4-6-14(11-13)23(24)25;1-25(2,3)10-9-24-12-23-8-7-15-16(21-18(19)22-17(15)23)13-5-4-6-14(20)11-13;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-3(4)5/h5-10,13H,1,11-12,14-15H2,2-4H3;4-8,11H,9-10,12H2,1-3H3;4-8,11H,9-10,12,20H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,9-10H;2H,1H2
InChIKeyVDWJKCJMTXYYHO-UHFFFAOYSA-N
MW1783.60 g/mol
LogP19.24
Rot. Bonds30

About 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride

2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride (PubChem CID 161271469) has the molecular formula C79H96BCl6N15O12Si4 and a molecular weight of 1783.60 g/mol. Its IUPAC name is 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride.

Molecular Properties

Compound Name2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride
PubChem CID161271469
Molecular FormulaC79H96BCl6N15O12Si4
Molecular Weight1783.60 g/mol
Exact Mass1779.47
IUPAC Name2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride
SMILESC=CC(=O)Cc1cccc(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1.C=CC(=O)Cl.C[Si](C)(C)CCOCn1ccc2c(-c3cccc(N)c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(-c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.O=[N+]([O-])c1cccc(B(O)O)c1
InChIInChI=1S/C22H26ClN3O2Si.C18H21ClN4O3Si.C18H23ClN4OSi.C12H17Cl2N3OSi.C6H6BNO4.C3H3ClO/c1-5-18(27)14-16-7-6-8-17(13-16)20-19-9-10-26(21(19)25-22(23)24-20)15-28-11-12-29(2,3)4;1-27(2,3)10-9-26-12-22-8-7-15-16(20-18(19)21-17(15)22)13-5-4-6-14(11-13)23(24)25;1-25(2,3)10-9-24-12-23-8-7-15-16(21-18(19)22-17(15)23)13-5-4-6-14(20)11-13;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-3(4)5/h5-10,13H,1,11-12,14-15H2,2-4H3;4-8,11H,9-10,12H2,1-3H3;4-8,11H,9-10,12,20H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,9-10H;2H,1H2
InChIKeyVDWJKCJMTXYYHO-UHFFFAOYSA-N
XLogP19.24
TPSA346.66 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.60
LogP ≤ 519.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride with MolForge

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Related Compounds

4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride
CID 157223356
2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-(3-nitrophenyl)methanone;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-[difluoro-(3-nitrophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;4-(4-methylpiperazin-1-yl)aniline;3-nitrobenzaldehyde
CID 158920504
4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride
CID 162121185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride?
The IUPAC name of 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride (CID 161271469) is 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride.
What is the SMILES notation for 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride?
The canonical SMILES for 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride is C=CC(=O)Cc1cccc(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1.C=CC(=O)Cl.C[Si](C)(C)CCOCn1ccc2c(-c3cccc(N)c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(-c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.O=[N+]([O-])c1cccc(B(O)O)c1.
What is the InChIKey of 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride?
The InChIKey is VDWJKCJMTXYYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2Si.C18H21ClN4O3Si.C18H23ClN4OSi.C12H17Cl2N3OSi.C6H6BNO4.C3H3ClO/c1-5-18(27)14-16-7-6-8-17(13-16)20-19-9-10-26(21(19)25-22(23)24-20)15-28-11-12-29(2,3)4;1-27(2,3)10-9-26-12-22-8-7-15-16(20-18(19)21-17(15)22)13-5-4-6-14(11-13)23(24)25;1-25(2,3)10-9-24-12-23-8-7-15-16(21-18(19)22-17(15)23)13-5-4-6-14(20)11-13;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-3(4)5/h5-10,13H,1,11-12,14-15H2,2-4H3;4-8,11H,9-10,12H2,1-3H3;4-8,11H,9-10,12,20H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,9-10H;2H,1H2.
What are the key properties of 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride?
2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride has a molecular weight of 1783.60 g/mol, XLogP of 19.24, 30 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(3-nitrophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]aniline;1-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(3-nitrophenyl)boronic acid;prop-2-enoyl chloride is sourced from PubChem (CID 161271469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).