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

C38H45FN6OSi — CID 67460377

IUPAC[6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(c3ccccc3)c3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21
InChIInChI=1S/C38H45FN6OSi/c1-23(2)47(24(3)4,25(5)6)44-21-31(34-35(27-14-15-27)41-22-42-38(34)44)36(46)30-17-19-33(43-37(30)39)45(28-10-8-7-9-11-28)29-16-18-32(40-20-29)26-12-13-26/h7-11,16-27,36,46H,12-15H2,1-6H3
InChIKeySUCMMUKDSKEYOF-UHFFFAOYSA-N
MW648.90 g/mol
LogP9.69
Rot. Bonds11

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

[6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 67460377) has the molecular formula C38H45FN6OSi and a molecular weight of 648.90 g/mol. Its IUPAC name is [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID67460377
Molecular FormulaC38H45FN6OSi
Molecular Weight648.90 g/mol
Exact Mass648.34
IUPAC Name[6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(c3ccccc3)c3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21
InChIInChI=1S/C38H45FN6OSi/c1-23(2)47(24(3)4,25(5)6)44-21-31(34-35(27-14-15-27)41-22-42-38(34)44)36(46)30-17-19-33(43-37(30)39)45(28-10-8-7-9-11-28)29-16-18-32(40-20-29)26-12-13-26/h7-11,16-27,36,46H,12-15H2,1-6H3
InChIKeySUCMMUKDSKEYOF-UHFFFAOYSA-N
XLogP9.69
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.90
LogP ≤ 59.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 67460377) is [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-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-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-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(c3ccccc3)c3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21.
What is the InChIKey of [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is SUCMMUKDSKEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45FN6OSi/c1-23(2)47(24(3)4,25(5)6)44-21-31(34-35(27-14-15-27)41-22-42-38(34)44)36(46)30-17-19-33(43-37(30)39)45(28-10-8-7-9-11-28)29-16-18-32(40-20-29)26-12-13-26/h7-11,16-27,36,46H,12-15H2,1-6H3.
What are the key properties of [6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[6-(N-(6-cyclopropyl-3-pyridinyl)anilino)-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-(N-(6-cyclopropyl-3-pyridinyl)anilino)-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 67460377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).