1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

C17H15FN4S — CID 53390805

IUPAC1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)c2c1CCSC2
InChIInChI=1S/C17H15FN4S/c18-14-5-2-1-4-12(14)10-22-15-6-9-23-11-13(15)16(21-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-11H2
InChIKeyMODILMAZGYQKOA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (PubChem CID 53390805) has the molecular formula C17H15FN4S and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
PubChem CID53390805
Molecular FormulaC17H15FN4S
Molecular Weight326.40 g/mol
Exact Mass326.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)c2c1CCSC2
InChIInChI=1S/C17H15FN4S/c18-14-5-2-1-4-12(14)10-22-15-6-9-23-11-13(15)16(21-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-11H2
InChIKeyMODILMAZGYQKOA-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (CID 53390805) is 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is Fc1ccccc1Cn1nc(-c2ncccn2)c2c1CCSC2.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The InChIKey is MODILMAZGYQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4S/c18-14-5-2-1-4-12(14)10-22-15-6-9-23-11-13(15)16(21-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-11H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole has a molecular weight of 326.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 53390805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).