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

C20H18FN5O — CID 134563914

IUPAC6,8-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
SMILESO=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCc2cccnc2C1
InChIInChI=1S/C20H18FN5O/c21-15-11-17(14-5-2-1-3-6-14)26-19(15)23-18(24-26)20(27)25-10-8-13-7-4-9-22-16(13)12-25/h1-7,9,15,17H,8,10-12H2/t15-,17-/m1/s1
InChIKeyYWNSYZSZKRXBIF-NVXWUHKLSA-N
MW363.40 g/mol
LogP2.88
Rot. Bonds2

About 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

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 (PubChem CID 134563914) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,8-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
PubChem CID134563914
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name6,8-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
SMILESO=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCc2cccnc2C1
InChIInChI=1S/C20H18FN5O/c21-15-11-17(14-5-2-1-3-6-14)26-19(15)23-18(24-26)20(27)25-10-8-13-7-4-9-22-16(13)12-25/h1-7,9,15,17H,8,10-12H2/t15-,17-/m1/s1
InChIKeyYWNSYZSZKRXBIF-NVXWUHKLSA-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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCc2cccnc2C1.
What is the InChIKey of 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?
The InChIKey is YWNSYZSZKRXBIF-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-15-11-17(14-5-2-1-3-6-14)26-19(15)23-18(24-26)20(27)25-10-8-13-7-4-9-22-16(13)12-25/h1-7,9,15,17H,8,10-12H2/t15-,17-/m1/s1.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 134563914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).