1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

C17H12FN5S — CID 7162108

IUPAC1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(SCc4cccnc4)ncnc32)cc1
InChIInChI=1S/C17H12FN5S/c18-13-3-5-14(6-4-13)23-16-15(9-22-23)17(21-11-20-16)24-10-12-2-1-7-19-8-12/h1-9,11H,10H2
InChIKeySYAXGWYHKCFRTN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 7162108) has the molecular formula C17H12FN5S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
PubChem CID7162108
Molecular FormulaC17H12FN5S
Molecular Weight337.38 g/mol
Exact Mass337.08
IUPAC Name1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(SCc4cccnc4)ncnc32)cc1
InChIInChI=1S/C17H12FN5S/c18-13-3-5-14(6-4-13)23-16-15(9-22-23)17(21-11-20-16)24-10-12-2-1-7-19-8-12/h1-9,11H,10H2
InChIKeySYAXGWYHKCFRTN-UHFFFAOYSA-N
XLogP3.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Sgx-523
CID 24779724
TH1020
CID 124203921
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
4-[(1E)-{2-[1-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 90759135
3,3-Dimethyl-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-2-one
CID 2653436
1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866512
4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]pyridine
CID 91226622
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
4-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyridine
CID 91321549
N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 859496

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (CID 7162108) is 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is Fc1ccc(-n2ncc3c(SCc4cccnc4)ncnc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is SYAXGWYHKCFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5S/c18-13-3-5-14(6-4-13)23-16-15(9-22-23)17(21-11-20-16)24-10-12-2-1-7-19-8-12/h1-9,11H,10H2.
What are the key properties of 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 337.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7162108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).