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

C18H17FN6O — CID 134563973

IUPAC6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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)N1CCCn2nccc21
InChIInChI=1S/C18H17FN6O/c19-13-11-14(12-5-2-1-3-6-12)25-17(13)21-16(22-25)18(26)23-9-4-10-24-15(23)7-8-20-24/h1-3,5-8,13-14H,4,9-11H2/t13-,14-/m0/s1
InChIKeyQAHSHCWOPGIANA-KBPBESRZSA-N
MW352.37 g/mol
LogP2.53
Rot. Bonds2

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

6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 134563973) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID134563973
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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)N1CCCn2nccc21
InChIInChI=1S/C18H17FN6O/c19-13-11-14(12-5-2-1-3-6-12)25-17(13)21-16(22-25)18(26)23-9-4-10-24-15(23)7-8-20-24/h1-3,5-8,13-14H,4,9-11H2/t13-,14-/m0/s1
InChIKeyQAHSHCWOPGIANA-KBPBESRZSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 134563973) is 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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)N1CCCn2nccc21.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The InChIKey is QAHSHCWOPGIANA-KBPBESRZSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-13-11-14(12-5-2-1-3-6-12)25-17(13)21-16(22-25)18(26)23-9-4-10-24-15(23)7-8-20-24/h1-3,5-8,13-14H,4,9-11H2/t13-,14-/m0/s1.
What are the key properties of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-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 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 134563973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).