7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H16FN3O3 — CID 58016436

IUPAC7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)c1
InChIInChI=1S/C21H16FN3O3/c1-28-17-4-2-3-15(12-17)23-21(27)18-11-13-5-10-19(26)25(20(13)24-18)16-8-6-14(22)7-9-16/h2-12,24H,1H3,(H,23,27)
InChIKeySRRDNTHCYIOQKM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.72
Rot. Bonds4

About 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58016436) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58016436
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)c1
InChIInChI=1S/C21H16FN3O3/c1-28-17-4-2-3-15(12-17)23-21(27)18-11-13-5-10-19(26)25(20(13)24-18)16-8-6-14(22)7-9-16/h2-12,24H,1H3,(H,23,27)
InChIKeySRRDNTHCYIOQKM-UHFFFAOYSA-N
XLogP3.72
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58016436) is 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)c1.
What is the InChIKey of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is SRRDNTHCYIOQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-28-17-4-2-3-15(12-17)23-21(27)18-11-13-5-10-19(26)25(20(13)24-18)16-8-6-14(22)7-9-16/h2-12,24H,1H3,(H,23,27).
What are the key properties of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58016436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).