2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane

C51H61Cl5N20O2Si — CID 158142025

About 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane

2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane (PubChem CID 158142025) has the molecular formula C51H61Cl5N20O2Si and a molecular weight of 1191.54 g/mol. Its IUPAC name is 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane.

Molecular Properties

• Compound Name: 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane
• PubChem CID: 158142025
• Molecular Formula: C51H61Cl5N20O2Si
• Molecular Weight: 1191.54 g/mol
• Exact Mass: 1188.35
• IUPAC Name: 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane
• SMILES: C.C.C.Cn1cc(-c2nc(Cl)nc3[nH]ccc23)cn1.Cn1cc(-c2nc(Cl)nc3c2c(Cl)cn3CO)cn1.Cn1cc(-c2nc(Cl)nc3c2ccn3C)cn1.Cn1cc(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C16H22ClN5OSi.C11H9Cl2N5O.C11H10ClN5.C10H8ClN5.3CH4/c1-21-10-12(9-18-21)14-13-5-6-22(15(13)20-16(17)19-14)11-23-7-8-24(2,3)4;1-17-3-6(2-14-17)9-8-7(12)4-18(5-19)10(8)16-11(13)15-9;1-16-4-3-8-9(7-5-13-17(2)6-7)14-11(12)15-10(8)16;1-16-5-6(4-13-16)8-7-2-3-12-9(7)15-10(11)14-8;;;/h5-6,9-10H,7-8,11H2,1-4H3;2-4,19H,5H2,1H3;3-6H,1-2H3;2-5H,1H3,(H,12,14,15);3*1H4
• InChIKey: FUBCMWKKAIMZEA-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 234.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.54
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane?

The IUPAC name of 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane (CID 158142025) is 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane.

What is the SMILES notation for 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane?

The canonical SMILES for 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane is C.C.C.Cn1cc(-c2nc(Cl)nc3[nH]ccc23)cn1.Cn1cc(-c2nc(Cl)nc3c2c(Cl)cn3CO)cn1.Cn1cc(-c2nc(Cl)nc3c2ccn3C)cn1.Cn1cc(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)cn1.

What is the InChIKey of 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane?

The InChIKey is FUBCMWKKAIMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5OSi.C11H9Cl2N5O.C11H10ClN5.C10H8ClN5.3CH4/c1-21-10-12(9-18-21)14-13-5-6-22(15(13)20-16(17)19-14)11-23-7-8-24(2,3)4;1-17-3-6(2-14-17)9-8-7(12)4-18(5-19)10(8)16-11(13)15-9;1-16-4-3-8-9(7-5-13-17(2)6-7)14-11(12)15-10(8)16;1-16-5-6(4-13-16)8-7-2-3-12-9(7)15-10(11)14-8;;;/h5-6,9-10H,7-8,11H2,1-4H3;2-4,19H,5H2,1H3;3-6H,1-2H3;2-5H,1H3,(H,12,14,15);3*1H4.

What are the key properties of 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane?

2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane has a molecular weight of 1191.54 g/mol, XLogP of 11.83, 10 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane is sourced from PubChem (CID 158142025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).