2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one

C20H16FN3O — CID 142469559

IUPAC2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
SMILESCc1ncccc1-c1ccc2c(c1)-c1cc(F)cnc1C(=O)N(C)C2
InChIInChI=1S/C20H16FN3O/c1-12-16(4-3-7-22-12)13-5-6-14-11-24(2)20(25)19-18(17(14)8-13)9-15(21)10-23-19/h3-10H,11H2,1-2H3
InChIKeyPDERBFBDSUBYBJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.84
Rot. Bonds1

About 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one

2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one (PubChem CID 142469559) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one.

Molecular Properties

Compound Name2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
PubChem CID142469559
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
SMILESCc1ncccc1-c1ccc2c(c1)-c1cc(F)cnc1C(=O)N(C)C2
InChIInChI=1S/C20H16FN3O/c1-12-16(4-3-7-22-12)13-5-6-14-11-24(2)20(25)19-18(17(14)8-13)9-15(21)10-23-19/h3-10H,11H2,1-2H3
InChIKeyPDERBFBDSUBYBJ-UHFFFAOYSA-N
XLogP3.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 44814409
Tak-637
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7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
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CID 9855000
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2-[3,5-Bis(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-4alpha-methyl-12-(4-methylphenyl)-8-aza[1,4]diazepino[1,2-b]isoquinoline-1,7-dione
CID 10144275
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
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7-[3,5-Bis(trifluoromethyl)benzyl]-6,7,8,9,10,12-hexahydro-5-(4-methylphenyl)-6,12-dioxo[1,4)diazepino[2,1-g][1,7]naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one?
The IUPAC name of 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one (CID 142469559) is 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one.
What is the SMILES notation for 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one?
The canonical SMILES for 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one is Cc1ncccc1-c1ccc2c(c1)-c1cc(F)cnc1C(=O)N(C)C2.
What is the InChIKey of 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one?
The InChIKey is PDERBFBDSUBYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-12-16(4-3-7-22-12)13-5-6-14-11-24(2)20(25)19-18(17(14)8-13)9-15(21)10-23-19/h3-10H,11H2,1-2H3.
What are the key properties of 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one?
2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one has a molecular weight of 333.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one is sourced from PubChem (CID 142469559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).