6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C21H14ClFN6O — CID 172608593

IUPAC6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(Cl)nc(-n2ccc3cc[nH]c3c2=O)c1
InChIInChI=1S/C21H14ClFN6O/c1-28-11-25-27-20(28)16-10-14(23)2-3-15(16)13-8-17(22)26-18(9-13)29-7-5-12-4-6-24-19(12)21(29)30/h2-11,24H,1H3
InChIKeyYTFPDLYKVYRVCE-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.97
Rot. Bonds3

About 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172608593) has the molecular formula C21H14ClFN6O and a molecular weight of 420.84 g/mol. Its IUPAC name is 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172608593
Molecular FormulaC21H14ClFN6O
Molecular Weight420.84 g/mol
Exact Mass420.09
IUPAC Name6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(Cl)nc(-n2ccc3cc[nH]c3c2=O)c1
InChIInChI=1S/C21H14ClFN6O/c1-28-11-25-27-20(28)16-10-14(23)2-3-15(16)13-8-17(22)26-18(9-13)29-7-5-12-4-6-24-19(12)21(29)30/h2-11,24H,1H3
InChIKeyYTFPDLYKVYRVCE-UHFFFAOYSA-N
XLogP3.97
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608828
2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 166556278
4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 172608571
2-[(2S)-1-acetylpyrrolidin-2-yl]-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-4-one
CID 172608695
4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608747
6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carbaldehyde
CID 166556269
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-fluoro-6-(hydroxymethyl)-3H-isoindol-1-one
CID 165411412
4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608468
3-(2-bromo-5-fluorophenyl)-4-methyl-1,2,4-triazole
CID 115395337
3-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)quinazolin-4-one
CID 171102168
6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608879
2-cyclopropyl-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-4-one
CID 172608907

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172608593) is 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cnnc1-c1cc(F)ccc1-c1cc(Cl)nc(-n2ccc3cc[nH]c3c2=O)c1.
What is the InChIKey of 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is YTFPDLYKVYRVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN6O/c1-28-11-25-27-20(28)16-10-14(23)2-3-15(16)13-8-17(22)26-18(9-13)29-7-5-12-4-6-24-19(12)21(29)30/h2-11,24H,1H3.
What are the key properties of 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 420.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172608593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).