N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine

C29H36ClFN4OSi — CID 69109078

IUPACN-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(COc2ccc(NCc3ccccc3Cl)nc2F)c2cccnc21
InChIInChI=1S/C29H36ClFN4OSi/c1-19(2)37(20(3)4,21(5)6)35-17-23(24-11-9-15-32-29(24)35)18-36-26-13-14-27(34-28(26)31)33-16-22-10-7-8-12-25(22)30/h7-15,17,19-21H,16,18H2,1-6H3,(H,33,34)
InChIKeyAVXVFJVYPGNWKA-UHFFFAOYSA-N
MW539.17 g/mol
LogP8.44
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine

N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine (PubChem CID 69109078) has the molecular formula C29H36ClFN4OSi and a molecular weight of 539.17 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
PubChem CID69109078
Molecular FormulaC29H36ClFN4OSi
Molecular Weight539.17 g/mol
Exact Mass538.23
IUPAC NameN-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(COc2ccc(NCc3ccccc3Cl)nc2F)c2cccnc21
InChIInChI=1S/C29H36ClFN4OSi/c1-19(2)37(20(3)4,21(5)6)35-17-23(24-11-9-15-32-29(24)35)18-36-26-13-14-27(34-28(26)31)33-16-22-10-7-8-12-25(22)30/h7-15,17,19-21H,16,18H2,1-6H3,(H,33,34)
InChIKeyAVXVFJVYPGNWKA-UHFFFAOYSA-N
XLogP8.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.17
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine (CID 69109078) is N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine is CC(C)[Si](C(C)C)(C(C)C)n1cc(COc2ccc(NCc3ccccc3Cl)nc2F)c2cccnc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?
The InChIKey is AVXVFJVYPGNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClFN4OSi/c1-19(2)37(20(3)4,21(5)6)35-17-23(24-11-9-15-32-29(24)35)18-36-26-13-14-27(34-28(26)31)33-16-22-10-7-8-12-25(22)30/h7-15,17,19-21H,16,18H2,1-6H3,(H,33,34).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?
N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine has a molecular weight of 539.17 g/mol, XLogP of 8.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine is sourced from PubChem (CID 69109078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).