N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine

C23H25F2N5OSi — CID 67469565

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESC[Si](C)(C)CCOCn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1
InChIInChI=1S/C23H25F2N5OSi/c1-32(2,3)11-10-31-15-30-14-22-23(29-30)20(7-9-27-22)28-17-6-8-26-21(13-17)18-12-16(24)4-5-19(18)25/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,28)
InChIKeyKZKRDAHGGUCJOS-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.83
Rot. Bonds8

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469565) has the molecular formula C23H25F2N5OSi and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469565
Molecular FormulaC23H25F2N5OSi
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESC[Si](C)(C)CCOCn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1
InChIInChI=1S/C23H25F2N5OSi/c1-32(2,3)11-10-31-15-30-14-22-23(29-30)20(7-9-27-22)28-17-6-8-26-21(13-17)18-12-16(24)4-5-19(18)25/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,28)
InChIKeyKZKRDAHGGUCJOS-UHFFFAOYSA-N
XLogP5.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 67469565) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine is C[Si](C)(C)CCOCn1cc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c2n1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is KZKRDAHGGUCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5OSi/c1-32(2,3)11-10-31-15-30-14-22-23(29-30)20(7-9-27-22)28-17-6-8-26-21(13-17)18-12-16(24)4-5-19(18)25/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 453.57 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).