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

C27H33ClFN5O2Si — CID 123341287

IUPAC[5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCOc1ncnc2c1c(C(O)c1cc(-c3ccc(Cl)nc3)cnc1F)cn2[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H33ClFN5O2Si/c1-15(2)37(16(3)4,17(5)6)34-13-21(23-26(34)32-14-33-27(23)36-7)24(35)20-10-19(12-31-25(20)29)18-8-9-22(28)30-11-18/h8-17,24,35H,1-7H3
InChIKeyLLHMNHHKAJVPGI-UHFFFAOYSA-N
MW542.13 g/mol
LogP6.79
Rot. Bonds8

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

[5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 123341287) has the molecular formula C27H33ClFN5O2Si and a molecular weight of 542.13 g/mol. Its IUPAC name is [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID123341287
Molecular FormulaC27H33ClFN5O2Si
Molecular Weight542.13 g/mol
Exact Mass541.21
IUPAC Name[5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCOc1ncnc2c1c(C(O)c1cc(-c3ccc(Cl)nc3)cnc1F)cn2[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H33ClFN5O2Si/c1-15(2)37(16(3)4,17(5)6)34-13-21(23-26(34)32-14-33-27(23)36-7)24(35)20-10-19(12-31-25(20)29)18-8-9-22(28)30-11-18/h8-17,24,35H,1-7H3
InChIKeyLLHMNHHKAJVPGI-UHFFFAOYSA-N
XLogP6.79
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.13
LogP ≤ 56.79
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'}

Analyze [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol with MolForge

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Related Compounds

[5-[4-chloro-3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
CID 25124233
(2-Chloro-benzyl)-[6-fluoro-5-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-pyridin-2-yl]-amine
CID 57963226
{5-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-hydroxy-methyl]-pyridin-2-yl}-(5-fluoro-2-methoxy-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
CID 57963227
{6-fluoro-5-[hydroxy-(7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-pyridin-2-yl}-(4-methoxy-benzyl)-carbamic acid tert-butyl ester
CID 57963240
(2-chloro-benzyl)-{6-fluoro-5-[hydroxy-(5-methoxy-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methyl]-pyridin-2-yl}-carbamic acid tert-butyl ester
CID 58258914
{6-fluoro-5-[hydroxy-(5-methyl-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methyl]-pyridin-2-yl}-(4-methoxy-benzyl)-carbamic acid tert-butyl ester
CID 58258936
[1-[Tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol
CID 58338448
[6-[(6-Cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
CID 58485747
(6-chloro-pyridin-3-yl)-{6-fluoro-5-[hydroxy-(4-methoxy-7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-pyridin-2-yl}-carbamic acid tert-butyl ester
CID 58485805
[2-Fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol
CID 58485867
5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 58485948
tert-butyl N-[5-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-N-[(4-chlorophenyl)methyl]carbamate
CID 59593337

Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 123341287) is [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is COc1ncnc2c1c(C(O)c1cc(-c3ccc(Cl)nc3)cnc1F)cn2[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is LLHMNHHKAJVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN5O2Si/c1-15(2)37(16(3)4,17(5)6)34-13-21(23-26(34)32-14-33-27(23)36-7)24(35)20-10-19(12-31-25(20)29)18-8-9-22(28)30-11-18/h8-17,24,35H,1-7H3.
What are the key properties of [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 542.13 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-3-pyridinyl)-2-fluoro-3-pyridinyl]-[4-methoxy-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 123341287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).