2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

C24H26F2N4O2Si — CID 165391916

IUPAC2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O2Si/c1-33(2,3)11-10-32-14-30-21(16-6-8-28-24-17(16)7-9-29-24)13-18(23(27)31)22(30)15-4-5-19(25)20(26)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H2,27,31)(H,28,29)
InChIKeyJEHHKAJNGQDNNY-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.39
Rot. Bonds8

About 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (PubChem CID 165391916) has the molecular formula C24H26F2N4O2Si and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
PubChem CID165391916
Molecular FormulaC24H26F2N4O2Si
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O2Si/c1-33(2,3)11-10-32-14-30-21(16-6-8-28-24-17(16)7-9-29-24)13-18(23(27)31)22(30)15-4-5-19(25)20(26)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H2,27,31)(H,28,29)
InChIKeyJEHHKAJNGQDNNY-UHFFFAOYSA-N
XLogP5.39
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid
CID 171744199
2-dibenzothiophen-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391919
2-(4-fluoro-2-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid
CID 165392032
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 170649361
2-(2-fluoro-4-methylphenyl)-4-prop-1-en-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391952
2-(2-fluoro-4-methylphenyl)-4-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391801
4-(2-fluoro-4-methylphenyl)-7-methylidene-3-(2-trimethylsilylethoxymethyl)-3,10,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),4,8,11,13-hexaene-5-carboxamide
CID 165391818
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 170781316
3-[4-(1H-indol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
CID 67330613
2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
CID 165391983
methyl 5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-(2-chloro-4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 165391816

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (CID 165391916) is 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is C[Si](C)(C)CCOCn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The InChIKey is JEHHKAJNGQDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2Si/c1-33(2,3)11-10-32-14-30-21(16-6-8-28-24-17(16)7-9-29-24)13-18(23(27)31)22(30)15-4-5-19(25)20(26)12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H2,27,31)(H,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 165391916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).