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

C110H136Cl7F4N25O15Si5 — CID 158920504

About 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

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 (PubChem CID 158920504) has the molecular formula C110H136Cl7F4N25O15Si5 and a molecular weight of 2513.05 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158920504
• Molecular Formula: C110H136Cl7F4N25O15Si5
• Molecular Weight: 2513.05 g/mol
• Exact Mass: 2507.72
• IUPAC Name: 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
• SMILES: CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(C(=O)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.O=Cc1cccc([N+](=O)[O-])c1
• InChI: InChI=1S/C30H37F2N7O3Si.C19H21ClF2N4O3Si.C19H21ClN4O4Si.C12H17Cl2N3OSi.C11H17N3.C7H5NO3.C6H3Cl2N3.C6H15ClOSi/c1-36-14-16-37(17-15-36)24-10-8-23(9-11-24)33-29-34-27(30(31,32)22-6-5-7-25(20-22)39(40)41)26-12-13-38(28(26)35-29)21-42-18-19-43(2,3)4;1-30(2,3)10-9-29-12-25-8-7-15-16(23-18(20)24-17(15)25)19(21,22)13-5-4-6-14(11-13)26(27)28;1-29(2,3)10-9-28-12-23-8-7-15-16(21-19(20)22-18(15)23)17(25)13-5-4-6-14(11-13)24(26)27;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;9-5-6-2-1-3-7(4-6)8(10)11;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7/h5-13,20H,14-19,21H2,1-4H3,(H,33,34,35);4-8,11H,9-10,12H2,1-3H3;4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;2-5H,6-9,12H2,1H3;1-5H;1-2H,(H,9,10,11);4-6H2,1-3H3
• InChIKey: JHTVIMNIAJOMGM-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 468.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 39
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.05
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(C(=O)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.O=Cc1cccc([N+](=O)[O-])c1.

What is the InChIKey of 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?

The InChIKey is JHTVIMNIAJOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N7O3Si.C19H21ClF2N4O3Si.C19H21ClN4O4Si.C12H17Cl2N3OSi.C11H17N3.C7H5NO3.C6H3Cl2N3.C6H15ClOSi/c1-36-14-16-37(17-15-36)24-10-8-23(9-11-24)33-29-34-27(30(31,32)22-6-5-7-25(20-22)39(40)41)26-12-13-38(28(26)35-29)21-42-18-19-43(2,3)4;1-30(2,3)10-9-29-12-25-8-7-15-16(23-18(20)24-17(15)25)19(21,22)13-5-4-6-14(11-13)26(27)28;1-29(2,3)10-9-28-12-23-8-7-15-16(21-19(20)22-18(15)23)17(25)13-5-4-6-14(11-13)24(26)27;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;9-5-6-2-1-3-7(4-6)8(10)11;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7/h5-13,20H,14-19,21H2,1-4H3,(H,33,34,35);4-8,11H,9-10,12H2,1-3H3;4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;2-5H,6-9,12H2,1H3;1-5H;1-2H,(H,9,10,11);4-6H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 2513.05 g/mol, XLogP of 27.55, 39 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158920504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).