7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

C20H18FN5O — CID 134563832

IUPAC7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ncccc2C1
InChIInChI=1S/C20H18FN5O/c21-15-11-17(13-5-2-1-3-6-13)26-19(15)23-18(24-26)20(27)25-10-8-16-14(12-25)7-4-9-22-16/h1-7,9,15,17H,8,10-12H2
InChIKeyDHHHDGRNNXEXKV-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.88
Rot. Bonds2

About 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (PubChem CID 134563832) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
PubChem CID134563832
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ncccc2C1
InChIInChI=1S/C20H18FN5O/c21-15-11-17(13-5-2-1-3-6-13)26-19(15)23-18(24-26)20(27)25-10-8-16-14(12-25)7-4-9-22-16/h1-7,9,15,17H,8,10-12H2
InChIKeyDHHHDGRNNXEXKV-UHFFFAOYSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone with MolForge

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Related Compounds

6,8-dihydro-5H-1,7-naphthyridin-7-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
CID 134563914
(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 134563928
3,4-dihydro-1H-2,7-naphthyridin-2-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563963
azetidin-1-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563867
(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563953
(5S,7S)-7-fluoro-N-methyl-N,5-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 134563941
1-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylpropan-1-one
CID 138504526
2-bromo-1-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)ethanone
CID 137408362
1-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2,2-dimethylpropan-1-one
CID 137408057
cyclobutyl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
CID 137408105
[(1R)-2,2-difluorocyclopropyl]-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
CID 137412417
(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
CID 137408328

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (CID 134563832) is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is O=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ncccc2C1.
What is the InChIKey of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The InChIKey is DHHHDGRNNXEXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-15-11-17(13-5-2-1-3-6-13)26-19(15)23-18(24-26)20(27)25-10-8-16-14(12-25)7-4-9-22-16/h1-7,9,15,17H,8,10-12H2.
What are the key properties of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone has a molecular weight of 363.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is sourced from PubChem (CID 134563832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).