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

C20H18FN5O — CID 134563963

IUPAC3,4-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
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ccncc2C1
InChIInChI=1S/C20H18FN5O/c21-16-10-17(14-4-2-1-3-5-14)26-19(16)23-18(24-26)20(27)25-9-7-13-6-8-22-11-15(13)12-25/h1-6,8,11,16-17H,7,9-10,12H2
InChIKeyKGMMKIOZSWAONC-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.88
Rot. Bonds2

About 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

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 (PubChem CID 134563963) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID134563963
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3,4-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
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ccncc2C1
InChIInChI=1S/C20H18FN5O/c21-16-10-17(14-4-2-1-3-5-14)26-19(16)23-18(24-26)20(27)25-9-7-13-6-8-22-11-15(13)12-25/h1-6,8,11,16-17H,7,9-10,12H2
InChIKeyKGMMKIOZSWAONC-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 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 with MolForge

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Related Compounds

(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
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
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
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
(4-fluoro-2-methylpyrrolidin-1-yl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563882
(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 137408314
(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
(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
CID 137408328
[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-[(2S,3R)-2-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 158963225
[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 137408318
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1nc2n(n1)C(c1ccccc1)CC2F)N1CCc2ccncc2C1.
What is the InChIKey of 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?
The InChIKey is KGMMKIOZSWAONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-16-10-17(14-4-2-1-3-5-14)26-19(16)23-18(24-26)20(27)25-9-7-13-6-8-22-11-15(13)12-25/h1-6,8,11,16-17H,7,9-10,12H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 134563963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).