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

C19H19FN6O — CID 134563852

IUPAC[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc2n(n1)CCN(C(=O)c1nc3n(n1)[C@H](c1ccccc1)C[C@@H]3F)C2
InChIInChI=1S/C19H19FN6O/c1-12-9-14-11-24(7-8-25(14)22-12)19(27)17-21-18-15(20)10-16(26(18)23-17)13-5-3-2-4-6-13/h2-6,9,15-16H,7-8,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyFBKKMDBMZVYBTI-HOTGVXAUSA-N
MW366.40 g/mol
LogP2.44
Rot. Bonds2

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

[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 134563852) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID134563852
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCc1cc2n(n1)CCN(C(=O)c1nc3n(n1)[C@H](c1ccccc1)C[C@@H]3F)C2
InChIInChI=1S/C19H19FN6O/c1-12-9-14-11-24(7-8-25(14)22-12)19(27)17-21-18-15(20)10-16(26(18)23-17)13-5-3-2-4-6-13/h2-6,9,15-16H,7-8,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyFBKKMDBMZVYBTI-HOTGVXAUSA-N
XLogP2.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 134563852) is [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is Cc1cc2n(n1)CCN(C(=O)c1nc3n(n1)[C@H](c1ccccc1)C[C@@H]3F)C2.
What is the InChIKey of [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is FBKKMDBMZVYBTI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-9-14-11-24(7-8-25(14)22-12)19(27)17-21-18-15(20)10-16(26(18)23-17)13-5-3-2-4-6-13/h2-6,9,15-16H,7-8,10-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 134563852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).