[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C22H19FN4O — CID 157423275

IUPAC[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCc1ccc(Cc2ccc(C(=O)c3c[nH]c4ncc(C)cc34)c(F)n2)cn1
InChIInChI=1S/C22H19FN4O/c1-3-15-5-4-14(11-24-15)9-16-6-7-17(21(23)27-16)20(28)19-12-26-22-18(19)8-13(2)10-25-22/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
InChIKeyBPQUYVRQPCFZMA-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.18
Rot. Bonds5

About [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 157423275) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID157423275
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCc1ccc(Cc2ccc(C(=O)c3c[nH]c4ncc(C)cc34)c(F)n2)cn1
InChIInChI=1S/C22H19FN4O/c1-3-15-5-4-14(11-24-15)9-16-6-7-17(21(23)27-16)20(28)19-12-26-22-18(19)8-13(2)10-25-22/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
InChIKeyBPQUYVRQPCFZMA-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 90116675
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1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280164
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrimidin-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280235
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958791
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
Pyrrolopyridine, 12
CID 16719971
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 157423275) is [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCc1ccc(Cc2ccc(C(=O)c3c[nH]c4ncc(C)cc34)c(F)n2)cn1.
What is the InChIKey of [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is BPQUYVRQPCFZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-3-15-5-4-14(11-24-15)9-16-6-7-17(21(23)27-16)20(28)19-12-26-22-18(19)8-13(2)10-25-22/h4-8,10-12H,3,9H2,1-2H3,(H,25,26).
What are the key properties of [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 374.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 157423275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).