[6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol

C38H45FN6OSi — CID 67460379

About [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol

[6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 67460379) has the molecular formula C38H45FN6OSi and a molecular weight of 648.90 g/mol. Its IUPAC name is [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

• Compound Name: [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
• PubChem CID: 67460379
• Molecular Formula: C38H45FN6OSi
• Molecular Weight: 648.90 g/mol
• Exact Mass: 648.34
• IUPAC Name: [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(c3cccnc3)c3ccccc3C3CC3)nc2F)c2c(C3CC3)ncnc21
• InChI: InChI=1S/C38H45FN6OSi/c1-23(2)47(24(3)4,25(5)6)44-21-31(34-35(27-15-16-27)41-22-42-38(34)44)36(46)30-17-18-33(43-37(30)39)45(28-10-9-19-40-20-28)32-12-8-7-11-29(32)26-13-14-26/h7-12,17-27,36,46H,13-16H2,1-6H3
• InChIKey: PUHPDGGZOJSCNA-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.90
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The IUPAC name of [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 67460379) is [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.

What is the SMILES notation for [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The canonical SMILES for [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(c3cccnc3)c3ccccc3C3CC3)nc2F)c2c(C3CC3)ncnc21.

What is the InChIKey of [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The InChIKey is PUHPDGGZOJSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45FN6OSi/c1-23(2)47(24(3)4,25(5)6)44-21-31(34-35(27-15-16-27)41-22-42-38(34)44)36(46)30-17-18-33(43-37(30)39)45(28-10-9-19-40-20-28)32-12-8-7-11-29(32)26-13-14-26/h7-12,17-27,36,46H,13-16H2,1-6H3.

What are the key properties of [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?

[6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 648.90 g/mol, XLogP of 9.69, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-cyclopropyl-N-pyridin-3-ylanilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 67460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).