cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

C14H12F2N4O — CID 154984506

About cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 154984506) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
• PubChem CID: 154984506
• Molecular Formula: C14H12F2N4O
• Molecular Weight: 290.27 g/mol
• Exact Mass: 290.10
• IUPAC Name: cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
• SMILES: O=C(c1nc2n(n1)[C@@H](c1cncc(F)c1)C[C@H]2F)C1CC1
• InChI: InChI=1S/C14H12F2N4O/c15-9-3-8(5-17-6-9)11-4-10(16)14-18-13(19-20(11)14)12(21)7-1-2-7/h3,5-7,10-11H,1-2,4H2/t10-,11-/m1/s1
• InChIKey: HXHYIBLISMREFM-GHMZBOCLSA-N
• XLogP: 2.41
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.27
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The IUPAC name of cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 154984506) is cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

What is the SMILES notation for cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The canonical SMILES for cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is O=C(c1nc2n(n1)[C@@H](c1cncc(F)c1)C[C@H]2F)C1CC1.

What is the InChIKey of cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The InChIKey is HXHYIBLISMREFM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-9-3-8(5-17-6-9)11-4-10(16)14-18-13(19-20(11)14)12(21)7-1-2-7/h3,5-7,10-11H,1-2,4H2/t10-,11-/m1/s1.

What are the key properties of cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone has a molecular weight of 290.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(5R,7R)-7-fluoro-5-(5-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 154984506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).