1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone

C19H20ClFN4O — CID 176943887

IUPAC1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
SMILESCc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccnc(F)c3)C1)CC2
InChIInChI=1S/C19H20ClFN4O/c1-12-6-17(20)23-16-3-5-24(11-15(12)16)19(26)7-13-9-25(10-13)14-2-4-22-18(21)8-14/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyQUZLXOQLQOHRDZ-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone

1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone (PubChem CID 176943887) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
PubChem CID176943887
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
SMILESCc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccnc(F)c3)C1)CC2
InChIInChI=1S/C19H20ClFN4O/c1-12-6-17(20)23-16-3-5-24(11-15(12)16)19(26)7-13-9-25(10-13)14-2-4-22-18(21)8-14/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyQUZLXOQLQOHRDZ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone?
The IUPAC name of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone (CID 176943887) is 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone?
The canonical SMILES for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone is Cc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccnc(F)c3)C1)CC2.
What is the InChIKey of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone?
The InChIKey is QUZLXOQLQOHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-12-6-17(20)23-16-3-5-24(11-15(12)16)19(26)7-13-9-25(10-13)14-2-4-22-18(21)8-14/h2,4,6,8,13H,3,5,7,9-11H2,1H3.
What are the key properties of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone?
1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone has a molecular weight of 374.85 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone is sourced from PubChem (CID 176943887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).