6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

C18H17FN6O — CID 134563837

IUPAC6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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)N1CCn2nccc2C1
InChIInChI=1S/C18H17FN6O/c19-14-10-15(12-4-2-1-3-5-12)25-17(14)21-16(22-25)18(26)23-8-9-24-13(11-23)6-7-20-24/h1-7,14-15H,8-11H2/t14-,15-/m1/s1
InChIKeyDEUFUUUYKGRKCZ-HUUCEWRRSA-N
MW352.37 g/mol
LogP2.13
Rot. Bonds2

About 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 134563837) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID134563837
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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)N1CCn2nccc2C1
InChIInChI=1S/C18H17FN6O/c19-14-10-15(12-4-2-1-3-5-12)25-17(14)21-16(22-25)18(26)23-8-9-24-13(11-23)6-7-20-24/h1-7,14-15H,8-11H2/t14-,15-/m1/s1
InChIKeyDEUFUUUYKGRKCZ-HUUCEWRRSA-N
XLogP2.13
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-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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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 134563837) is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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)N1CCn2nccc2C1.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 DEUFUUUYKGRKCZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-10-15(12-4-2-1-3-5-12)25-17(14)21-16(22-25)18(26)23-8-9-24-13(11-23)6-7-20-24/h1-7,14-15H,8-11H2/t14-,15-/m1/s1.
What are the key properties of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 352.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-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 134563837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).