2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C23H19FN4O2 — CID 166452402

IUPAC2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC=CC3)n1)C2=O
InChIInChI=1S/C23H19FN4O2/c1-30-18-7-4-6-17(24)21(18)22-16-14-28(23(29)15(16)10-11-25-22)20-9-5-8-19(26-20)27-12-2-3-13-27/h2-11H,12-14H2,1H3
InChIKeyRBZBNFPQBIWUAQ-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.83
Rot. Bonds4

About 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452402) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452402
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC=CC3)n1)C2=O
InChIInChI=1S/C23H19FN4O2/c1-30-18-7-4-6-17(24)21(18)22-16-14-28(23(29)15(16)10-11-25-22)20-9-5-8-19(26-20)27-12-2-3-13-27/h2-11H,12-14H2,1H3
InChIKeyRBZBNFPQBIWUAQ-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452365
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452226
4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175365711
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452240
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452439
2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452214
2-[6-[(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-4-cyclobutyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452246
2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405459
4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452254
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452402) is 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC=CC3)n1)C2=O.
What is the InChIKey of 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is RBZBNFPQBIWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-30-18-7-4-6-17(24)21(18)22-16-14-28(23(29)15(16)10-11-25-22)20-9-5-8-19(26-20)27-12-2-3-13-27/h2-11H,12-14H2,1H3.
What are the key properties of 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 402.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).