2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide

C21H17FN4O2 — CID 162687242

IUPAC2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCn1ccc2[nH]c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)cc2c1=O
InChIInChI=1S/C21H17FN4O2/c1-26-9-7-17-16(21(26)28)12-18(24-17)14-6-8-23-19(11-14)25-20(27)10-13-2-4-15(22)5-3-13/h2-9,11-12,24H,10H2,1H3,(H,23,25,27)
InChIKeySGGYEHCMXPTFMG-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 162687242) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID162687242
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCn1ccc2[nH]c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)cc2c1=O
InChIInChI=1S/C21H17FN4O2/c1-26-9-7-17-16(21(26)28)12-18(24-17)14-6-8-23-19(11-14)25-20(27)10-13-2-4-15(22)5-3-13/h2-9,11-12,24H,10H2,1H3,(H,23,25,27)
InChIKeySGGYEHCMXPTFMG-UHFFFAOYSA-N
XLogP3.25
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110472886
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2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 154674326
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CID 162687217
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CID 44597113
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CID 162686978
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CID 162687194
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-pyridin-4-ylacetamide
CID 53379885
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 154674495
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide (CID 162687242) is 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide is Cn1ccc2[nH]c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)cc2c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is SGGYEHCMXPTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-26-9-7-17-16(21(26)28)12-18(24-17)14-6-8-23-19(11-14)25-20(27)10-13-2-4-15(22)5-3-13/h2-9,11-12,24H,10H2,1H3,(H,23,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 376.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 162687242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).