[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone

C19H15F2N3O3S — CID 163348754

IUPAC[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H15F2N3O3S/c20-19(21)28(26,27)16-6-2-1-5-14(16)18(25)24-9-7-15-13(11-24)10-12-4-3-8-22-17(12)23-15/h1-6,8,10,19H,7,9,11H2
InChIKeyIAIIFLRUQPKLMM-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.82
Rot. Bonds3

About [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone

[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone (PubChem CID 163348754) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
PubChem CID163348754
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC Name[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H15F2N3O3S/c20-19(21)28(26,27)16-6-2-1-5-14(16)18(25)24-9-7-15-13(11-24)10-12-4-3-8-22-17(12)23-15/h1-6,8,10,19H,7,9,11H2
InChIKeyIAIIFLRUQPKLMM-UHFFFAOYSA-N
XLogP2.82
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethoxyphenyl)methanone
CID 163350715
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-(4-fluorophenoxy)ethanone
CID 163350693
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)morpholine
CID 163350610
3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163354439
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
CID 163350944

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone (CID 163348754) is [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone.
What is the SMILES notation for [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The canonical SMILES for [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone is O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
The InChIKey is IAIIFLRUQPKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-19(21)28(26,27)16-6-2-1-5-14(16)18(25)24-9-7-15-13(11-24)10-12-4-3-8-22-17(12)23-15/h1-6,8,10,19H,7,9,11H2.
What are the key properties of [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone?
[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone has a molecular weight of 403.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone is sourced from PubChem (CID 163348754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).