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

C18H17FN6O — CID 134563974

IUPAC6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)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
InChIKeyQAHSHCWOPGIANA-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.53
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(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-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (PubChem CID 134563974) 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-(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-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
PubChem CID134563974
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)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
InChIKeyQAHSHCWOPGIANA-UHFFFAOYSA-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-(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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Related Compounds

US20240025908, Example 8
CID 170680035
N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821905
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 974414
(3R)-1-(8-((1H-pyrazol-1-yl)methyl)-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44444390
1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylimidazolidin-2-one
CID 168281892
(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide
CID 46189101
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-2-methylpropanamide
CID 46189102
N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide
CID 58386268
(R)-N-(5-(2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-1H-imidazole-2-carboxamide
CID 58386275
(R)-N1-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N2,N2-dimethyloxalamide
CID 58386298
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 58386306
(R)-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-2-carboxamide
CID 58386312

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(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-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (CID 134563974) is 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(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-(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-(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(c1ccccc1)CC2F)N1CCCn2nccc21.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The InChIKey is QAHSHCWOPGIANA-UHFFFAOYSA-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.
What are the key properties of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-(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-(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-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is sourced from PubChem (CID 134563974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).