5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine

C16H17FN6O — CID 50981346

IUPAC5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)nc1
InChIInChI=1S/C16H17FN6O/c17-12-9-18-16(19-10-12)23-7-5-22(6-8-23)11-13-1-2-15(24-13)14-3-4-20-21-14/h1-4,9-10H,5-8,11H2,(H,20,21)
InChIKeyINGOLIFRUNRLLL-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.92
Rot. Bonds4

About 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine

5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 50981346) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
PubChem CID50981346
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)nc1
InChIInChI=1S/C16H17FN6O/c17-12-9-18-16(19-10-12)23-7-5-22(6-8-23)11-13-1-2-15(24-13)14-3-4-20-21-14/h1-4,9-10H,5-8,11H2,(H,20,21)
InChIKeyINGOLIFRUNRLLL-UHFFFAOYSA-N
XLogP1.92
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine (CID 50981346) is 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine is Fc1cnc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is INGOLIFRUNRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c17-12-9-18-16(19-10-12)23-7-5-22(6-8-23)11-13-1-2-15(24-13)14-3-4-20-21-14/h1-4,9-10H,5-8,11H2,(H,20,21).
What are the key properties of 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 328.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50981346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).