2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C48H48Cl2N16O2SSi — CID 159702751

About 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 159702751) has the molecular formula C48H48Cl2N16O2SSi and a molecular weight of 1012.08 g/mol. Its IUPAC name is 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 159702751
• Molecular Formula: C48H48Cl2N16O2SSi
• Molecular Weight: 1012.08 g/mol
• Exact Mass: 1010.30
• IUPAC Name: 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: CNc1nc(Cl)nc2c1c(-c1ccncc1)cn2S(=O)(=O)c1ccc(C)cc1.CNc1nc(Nc2ccc3cn[nH]c3c2)nc2[nH]cc(-c3ccncc3)c12.C[Si](C)(C)Cl.Nc1ccc2cn[nH]c2c1
• InChI: InChI=1S/C19H16ClN5O2S.C19H16N8.C7H7N3.C3H9ClSi/c1-12-3-5-14(6-4-12)28(26,27)25-11-15(13-7-9-22-10-8-13)16-17(21-2)23-19(20)24-18(16)25;1-20-17-16-14(11-4-6-21-7-5-11)10-22-18(16)26-19(25-17)24-13-3-2-12-9-23-27-15(12)8-13;8-6-2-1-5-4-9-10-7(5)3-6;1-5(2,3)4/h3-11H,1-2H3,(H,21,23,24);2-10H,1H3,(H,23,27)(H3,20,22,24,25,26);1-4H,8H2,(H,9,10);1-3H3
• InChIKey: MXVHFZAOOYZHHP-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 251.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1012.08
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 159702751) is 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Cl)nc2c1c(-c1ccncc1)cn2S(=O)(=O)c1ccc(C)cc1.CNc1nc(Nc2ccc3cn[nH]c3c2)nc2[nH]cc(-c3ccncc3)c12.C[Si](C)(C)Cl.Nc1ccc2cn[nH]c2c1.

What is the InChIKey of 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is MXVHFZAOOYZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S.C19H16N8.C7H7N3.C3H9ClSi/c1-12-3-5-14(6-4-12)28(26,27)25-11-15(13-7-9-22-10-8-13)16-17(21-2)23-19(20)24-18(16)25;1-20-17-16-14(11-4-6-21-7-5-11)10-22-18(16)26-19(25-17)24-13-3-2-12-9-23-27-15(12)8-13;8-6-2-1-5-4-9-10-7(5)3-6;1-5(2,3)4/h3-11H,1-2H3,(H,21,23,24);2-10H,1H3,(H,23,27)(H3,20,22,24,25,26);1-4H,8H2,(H,9,10);1-3H3.

What are the key properties of 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1012.08 g/mol, XLogP of 10.62, 8 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;chloro(trimethyl)silane;1H-indazol-6-amine;2-N-(1H-indazol-6-yl)-4-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159702751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).