1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine

C62H75N13O2Si — CID 159817789

About 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine

1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine (PubChem CID 159817789) has the molecular formula C62H75N13O2Si and a molecular weight of 1062.46 g/mol. Its IUPAC name is 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
• PubChem CID: 159817789
• Molecular Formula: C62H75N13O2Si
• Molecular Weight: 1062.46 g/mol
• Exact Mass: 1061.59
• IUPAC Name: 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
• SMILES: CCC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C(C)C)c4)cc23)nc(N)n1.CCC(O[Si](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1cc(C2=CCc3ncc(-c4cnn(C(C)C)c4)cc32)nc(N)n1
• InChI: InChI=1S/C36H48N6OSi.C26H27N7O/c1-10-36(29-14-12-11-13-15-29,43-44(24(4)5,25(6)7)26(8)9)34-19-33(40-35(37)41-34)30-16-17-32-31(30)18-27(20-38-32)28-21-39-42(22-28)23(2)3;1-4-26(34,19-8-6-5-7-9-19)23-11-22(31-25(27)32-23)21-14-29-24-20(21)10-17(12-28-24)18-13-30-33(15-18)16(2)3/h11-16,18-26H,10,17H2,1-9H3,(H2,37,40,41);5-16,34H,4H2,1-3H3,(H,28,29)(H2,27,31,32)
• InChIKey: NLVLMSOZOXVMJT-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 210.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1062.46
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?

The IUPAC name of 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine (CID 159817789) is 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine.

What is the SMILES notation for 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?

The canonical SMILES for 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine is CCC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C(C)C)c4)cc23)nc(N)n1.CCC(O[Si](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1cc(C2=CCc3ncc(-c4cnn(C(C)C)c4)cc32)nc(N)n1.

What is the InChIKey of 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?

The InChIKey is NLVLMSOZOXVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6OSi.C26H27N7O/c1-10-36(29-14-12-11-13-15-29,43-44(24(4)5,25(6)7)26(8)9)34-19-33(40-35(37)41-34)30-16-17-32-31(30)18-27(20-38-32)28-21-39-42(22-28)23(2)3;1-4-26(34,19-8-6-5-7-9-19)23-11-22(31-25(27)32-23)21-14-29-24-20(21)10-17(12-28-24)18-13-30-33(15-18)16(2)3/h11-16,18-26H,10,17H2,1-9H3,(H2,37,40,41);5-16,34H,4H2,1-3H3,(H,28,29)(H2,27,31,32).

What are the key properties of 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine?

1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine has a molecular weight of 1062.46 g/mol, XLogP of 13.42, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylpropan-1-ol;4-[1-phenyl-1-tri(propan-2-yl)silyloxypropyl]-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 159817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).