4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate

C63H79BCl2N18O10 — CID 158623146

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate (PubChem CID 158623146) has the molecular formula C63H79BCl2N18O10 and a molecular weight of 1330.16 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate.

Molecular Properties

• Compound Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate
• PubChem CID: 158623146
• Molecular Formula: C63H79BCl2N18O10
• Molecular Weight: 1330.16 g/mol
• Exact Mass: 1328.57
• IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate
• SMILES: CC(C)(C)C(=O)OCn1ccc2c(Cl)ncnc21.CC(C)C(=O)OCn1ccc2c(-c3cn[nH]c3)ncnc21.CCOC(C)n1cc(-c2ncnc3c2ccn3COC(=O)C(C)C)cn1.CCOC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C18H23N5O3.C14H15N5O2.C13H23BN2O3.C12H14ClN3O2.C6H4ClN3/c1-5-25-13(4)23-9-14(8-21-23)16-15-6-7-22(17(15)20-10-19-16)11-26-18(24)12(2)3;1-9(2)14(20)21-8-19-4-3-11-12(10-5-17-18-6-10)15-7-16-13(11)19;1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14;1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16;7-5-4-1-2-8-6(4)10-3-9-5/h6-10,12-13H,5,11H2,1-4H3;3-7,9H,8H2,1-2H3,(H,17,18);8-10H,7H2,1-6H3;4-6H,7H2,1-3H3;1-3H,(H,8,9,10)
• InChIKey: HYGFLTFSRGTKSM-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 313.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1330.16
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate?

The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate (CID 158623146) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate.

What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate?

The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate is CC(C)(C)C(=O)OCn1ccc2c(Cl)ncnc21.CC(C)C(=O)OCn1ccc2c(-c3cn[nH]c3)ncnc21.CCOC(C)n1cc(-c2ncnc3c2ccn3COC(=O)C(C)C)cn1.CCOC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1ncnc2[nH]ccc12.

What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate?

The InChIKey is HYGFLTFSRGTKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.C14H15N5O2.C13H23BN2O3.C12H14ClN3O2.C6H4ClN3/c1-5-25-13(4)23-9-14(8-21-23)16-15-6-7-22(17(15)20-10-19-16)11-26-18(24)12(2)3;1-9(2)14(20)21-8-19-4-3-11-12(10-5-17-18-6-10)15-7-16-13(11)19;1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14;1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16;7-5-4-1-2-8-6(4)10-3-9-5/h6-10,12-13H,5,11H2,1-4H3;3-7,9H,8H2,1-2H3,(H,17,18);8-10H,7H2,1-6H3;4-6H,7H2,1-3H3;1-3H,(H,8,9,10).

What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate?

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate has a molecular weight of 1330.16 g/mol, XLogP of 10.96, 17 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 158623146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).