4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

C24H27FN4OSi — CID 58395833

IUPAC4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C24H27FN4OSi/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27)
InChIKeyNVOHNTLRKVVLHP-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.80
Rot. Bonds7

About 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 58395833) has the molecular formula C24H27FN4OSi and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
PubChem CID58395833
Molecular FormulaC24H27FN4OSi
Molecular Weight434.59 g/mol
Exact Mass434.19
IUPAC Name4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C24H27FN4OSi/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27)
InChIKeyNVOHNTLRKVVLHP-UHFFFAOYSA-N
XLogP5.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (CID 58395833) is 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is NVOHNTLRKVVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OSi/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 434.59 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 58395833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).