2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride

C110H133Br2ClN16O19Si2 — CID 158659592

About 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride

2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride (PubChem CID 158659592) has the molecular formula C110H133Br2ClN16O19Si2 and a molecular weight of 2234.80 g/mol. Its IUPAC name is 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride.

Molecular Properties

• Compound Name: 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride
• PubChem CID: 158659592
• Molecular Formula: C110H133Br2ClN16O19Si2
• Molecular Weight: 2234.80 g/mol
• Exact Mass: 2230.75
• IUPAC Name: 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride
• SMILES: CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(N)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(NC(=O)OC(C)(C)C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c3)cc12.[Cl-].[NH3+]C(C(=O)O)c1cccc(Br)c1
• InChI: InChI=1S/C34H45N5O5Si.C32H40N4O6Si.C23H23N5O2.C13H16BrNO4.C8H8BrNO2.ClH/c1-34(2,3)44-33(41)36-29(32(40)38(4)5)24-14-12-13-23(19-24)25-20-27-30(26-15-10-11-16-28(26)42-6)37-39(31(27)35-21-25)22-43-17-18-45(7,8)9;1-32(2,3)42-31(39)34-27(30(37)38)22-12-10-11-21(17-22)23-18-25-28(24-13-8-9-14-26(24)40-4)35-36(29(25)33-19-23)20-41-15-16-43(5,6)7;1-28(2)23(29)20(24)15-8-6-7-14(11-15)16-12-18-21(26-27-22(18)25-13-16)17-9-4-5-10-19(17)30-3;1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8;9-6-3-1-2-5(4-6)7(10)8(11)12;/h10-16,19-21,29H,17-18,22H2,1-9H3,(H,36,41);8-14,17-19,27H,15-16,20H2,1-7H3,(H,34,39)(H,37,38);4-13,20H,24H2,1-3H3,(H,25,26,27);4-7,10H,1-3H3,(H,15,18)(H,16,17);1-4,7H,10H2,(H,11,12);1H
• InChIKey: FUCNZFNXEMJPTE-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 470.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.80
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride?

The IUPAC name of 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride (CID 158659592) is 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride.

What is the SMILES notation for 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride?

The canonical SMILES for 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride is CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(N)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(NC(=O)OC(C)(C)C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c3)cc12.[Cl-].[NH3+]C(C(=O)O)c1cccc(Br)c1.

What is the InChIKey of 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride?

The InChIKey is FUCNZFNXEMJPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O5Si.C32H40N4O6Si.C23H23N5O2.C13H16BrNO4.C8H8BrNO2.ClH/c1-34(2,3)44-33(41)36-29(32(40)38(4)5)24-14-12-13-23(19-24)25-20-27-30(26-15-10-11-16-28(26)42-6)37-39(31(27)35-21-25)22-43-17-18-45(7,8)9;1-32(2,3)42-31(39)34-27(30(37)38)22-12-10-11-21(17-22)23-18-25-28(24-13-8-9-14-26(24)40-4)35-36(29(25)33-19-23)20-41-15-16-43(5,6)7;1-28(2)23(29)20(24)15-8-6-7-14(11-15)16-12-18-21(26-27-22(18)25-13-16)17-9-4-5-10-19(17)30-3;1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8;9-6-3-1-2-5(4-6)7(10)8(11)12;/h10-16,19-21,29H,17-18,22H2,1-9H3,(H,36,41);8-14,17-19,27H,15-16,20H2,1-7H3,(H,34,39)(H,37,38);4-13,20H,24H2,1-3H3,(H,25,26,27);4-7,10H,1-3H3,(H,15,18)(H,16,17);1-4,7H,10H2,(H,11,12);1H.

What are the key properties of 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride?

2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride has a molecular weight of 2234.80 g/mol, XLogP of 17.79, 32 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;[(3-bromophenyl)-carboxymethyl]azanium;2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;tert-butyl N-[2-(dimethylamino)-1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-oxoethyl]carbamate;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;chloride is sourced from PubChem (CID 158659592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).