2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine

C16H14FN7O — CID 163228797

IUPAC2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(-c2ccn3nc(F)cc3n2)c1
InChIInChI=1S/C16H14FN7O/c1-11(9-23-10-18-21-22-23)25-13-4-2-3-12(7-13)14-5-6-24-16(19-14)8-15(17)20-24/h2-8,10-11H,9H2,1H3/t11-/m0/s1
InChIKeyKUHLUEDSQLWYLI-NSHDSACASA-N
MW339.33 g/mol
LogP1.99
Rot. Bonds5

About 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine

2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 163228797) has the molecular formula C16H14FN7O and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID163228797
Molecular FormulaC16H14FN7O
Molecular Weight339.33 g/mol
Exact Mass339.12
IUPAC Name2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(-c2ccn3nc(F)cc3n2)c1
InChIInChI=1S/C16H14FN7O/c1-11(9-23-10-18-21-22-23)25-13-4-2-3-12(7-13)14-5-6-24-16(19-14)8-15(17)20-24/h2-8,10-11H,9H2,1H3/t11-/m0/s1
InChIKeyKUHLUEDSQLWYLI-NSHDSACASA-N
XLogP1.99
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 163228823
4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine
CID 172819597
4-fluoro-2-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 163228804
N-(2-pyridin-2-ylethyl)-3-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 172851572
1-[(2S)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]tetrazole
CID 163228764
5-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidine
CID 172734652
4-oxo-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]-1H-pyridine-3-carbonitrile
CID 163228842
2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine
CID 163228785
4-(methylamino)-2-[6-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 163228801
2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
CID 95801601
2-(difluoromethyl)-4-fluoro-6-[6-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 163228683
4-[2-methyl-3-(tetrazol-1-yl)propoxy]benzoic acid
CID 139364228

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine (CID 163228797) is 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine is C[C@@H](Cn1cnnn1)Oc1cccc(-c2ccn3nc(F)cc3n2)c1.
What is the InChIKey of 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KUHLUEDSQLWYLI-NSHDSACASA-N. The full InChI is InChI=1S/C16H14FN7O/c1-11(9-23-10-18-21-22-23)25-13-4-2-3-12(7-13)14-5-6-24-16(19-14)8-15(17)20-24/h2-8,10-11H,9H2,1H3/t11-/m0/s1.
What are the key properties of 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine?
2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 339.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).