4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C16H16FN7 — CID 165433573

IUPAC4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESFc1cccnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H16FN7/c17-13-3-1-4-18-16(13)23-9-7-22(8-10-23)14-11-15(20-12-19-14)24-6-2-5-21-24/h1-6,11-12H,7-10H2
InChIKeySCOSVZZUDDCWCT-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.52
Rot. Bonds3

About 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 165433573) has the molecular formula C16H16FN7 and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID165433573
Molecular FormulaC16H16FN7
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESFc1cccnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H16FN7/c17-13-3-1-4-18-16(13)23-9-7-22(8-10-23)14-11-15(20-12-19-14)24-6-2-5-21-24/h1-6,11-12H,7-10H2
InChIKeySCOSVZZUDDCWCT-UHFFFAOYSA-N
XLogP1.52
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 165433573) is 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is Fc1cccnc1N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is SCOSVZZUDDCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7/c17-13-3-1-4-18-16(13)23-9-7-22(8-10-23)14-11-15(20-12-19-14)24-6-2-5-21-24/h1-6,11-12H,7-10H2.
What are the key properties of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 325.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 165433573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).