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

C20H17FN4O2 — CID 165391983

IUPAC2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCCOc1cccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(N)=O)c1F
InChIInChI=1S/C20H17FN4O2/c1-2-27-16-5-3-4-13(17(16)21)18-14(19(22)26)10-15(25-18)11-6-8-23-20-12(11)7-9-24-20/h3-10,25H,2H2,1H3,(H2,22,26)(H,23,24)
InChIKeyPUMHBXLWTVHBFB-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.86
Rot. Bonds5

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

2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 165391983) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID165391983
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCCOc1cccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(N)=O)c1F
InChIInChI=1S/C20H17FN4O2/c1-2-27-16-5-3-4-13(17(16)21)18-14(19(22)26)10-15(25-18)11-6-8-23-20-12(11)7-9-24-20/h3-10,25H,2H2,1H3,(H2,22,26)(H,23,24)
InChIKeyPUMHBXLWTVHBFB-UHFFFAOYSA-N
XLogP3.86
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 24809837
2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
CID 165391729
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 172570987
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603219
2-amino-3-ethoxybenzamide
CID 70121071
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
2-dibenzothiophen-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391919
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (CID 165391983) is 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is CCOc1cccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(N)=O)c1F.
What is the InChIKey of 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is PUMHBXLWTVHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-2-27-16-5-3-4-13(17(16)21)18-14(19(22)26)10-15(25-18)11-6-8-23-20-12(11)7-9-24-20/h3-10,25H,2H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 165391983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).