N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine

C22H24Cl2FN5OSi — CID 160866514

IUPACN-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1
InChIInChI=1S/C22H24Cl2FN5OSi/c1-32(2,3)11-10-31-14-29-8-6-20(28-29)30-9-5-16-19(30)4-7-26-22(16)27-21-17(23)12-15(25)13-18(21)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27)
InChIKeyYVFCJPHQIDMZDB-UHFFFAOYSA-N
MW492.46 g/mol
LogP6.72
Rot. Bonds8

About N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine

N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 160866514) has the molecular formula C22H24Cl2FN5OSi and a molecular weight of 492.46 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
PubChem CID160866514
Molecular FormulaC22H24Cl2FN5OSi
Molecular Weight492.46 g/mol
Exact Mass491.11
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1
InChIInChI=1S/C22H24Cl2FN5OSi/c1-32(2,3)11-10-31-14-29-8-6-20(28-29)30-9-5-16-19(30)4-7-26-22(16)27-21-17(23)12-15(25)13-18(21)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27)
InChIKeyYVFCJPHQIDMZDB-UHFFFAOYSA-N
XLogP6.72
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 56.72
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-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine (CID 160866514) is N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine is C[Si](C)(C)CCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is YVFCJPHQIDMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN5OSi/c1-32(2,3)11-10-31-14-29-8-6-20(28-29)30-9-5-16-19(30)4-7-26-22(16)27-21-17(23)12-15(25)13-18(21)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 492.46 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 160866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).