4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride

C40H43ClN12OSi — CID 158740096

About 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride

4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride (PubChem CID 158740096) has the molecular formula C40H43ClN12OSi and a molecular weight of 771.41 g/mol. Its IUPAC name is 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride
• PubChem CID: 158740096
• Molecular Formula: C40H43ClN12OSi
• Molecular Weight: 771.41 g/mol
• Exact Mass: 770.31
• IUPAC Name: 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride
• SMILES: C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccnc(N)c3)ccnc21.Cl.Nc1cc(-c2cc3c(-c4ccnc(N)c4)ccnc3[nH]2)ccn1
• InChI: InChI=1S/C23H28N6OSi.C17H14N6.ClH/c1-31(2,3)11-10-30-15-29-20(17-5-8-27-22(25)13-17)14-19-18(6-9-28-23(19)29)16-4-7-26-21(24)12-16;18-15-7-10(1-4-20-15)12-3-6-22-17-13(12)9-14(23-17)11-2-5-21-16(19)8-11;/h4-9,12-14H,10-11,15H2,1-3H3,(H2,24,26)(H2,25,27);1-9H,(H2,18,20)(H2,19,21)(H,22,23);1H
• InChIKey: RVBWWFIJUTUWJW-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 211.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.41
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride?

The IUPAC name of 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride (CID 158740096) is 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride.

What is the SMILES notation for 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride?

The canonical SMILES for 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride is C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccnc(N)c3)ccnc21.Cl.Nc1cc(-c2cc3c(-c4ccnc(N)c4)ccnc3[nH]2)ccn1.

What is the InChIKey of 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride?

The InChIKey is RVBWWFIJUTUWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OSi.C17H14N6.ClH/c1-31(2,3)11-10-30-15-29-20(17-5-8-27-22(25)13-17)14-19-18(6-9-28-23(19)29)16-4-7-26-21(24)12-16;18-15-7-10(1-4-20-15)12-3-6-22-17-13(12)9-14(23-17)11-2-5-21-16(19)8-11;/h4-9,12-14H,10-11,15H2,1-3H3,(H2,24,26)(H2,25,27);1-9H,(H2,18,20)(H2,19,21)(H,22,23);1H.

What are the key properties of 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride?

4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride has a molecular weight of 771.41 g/mol, XLogP of 7.91, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-amino-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(2-amino-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 158740096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).