1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one

C22H18FN5O — CID 22032214

IUPAC1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C22H18FN5O/c23-16-4-1-14(2-5-16)21-19(12-26-27-21)15-3-6-20-18(11-15)22(25-13-24-20)28-9-7-17(29)8-10-28/h1-6,11-13H,7-10H2,(H,26,27)
InChIKeyZBMMKQYJRBIIPG-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.00
Rot. Bonds3

About 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one

1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one (PubChem CID 22032214) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one
PubChem CID22032214
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C22H18FN5O/c23-16-4-1-14(2-5-16)21-19(12-26-27-21)15-3-6-20-18(11-15)22(25-13-24-20)28-9-7-17(29)8-10-28/h1-6,11-13H,7-10H2,(H,26,27)
InChIKeyZBMMKQYJRBIIPG-UHFFFAOYSA-N
XLogP4.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one?
The IUPAC name of 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one (CID 22032214) is 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one is O=C1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one?
The InChIKey is ZBMMKQYJRBIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-16-4-1-14(2-5-16)21-19(12-26-27-21)15-3-6-20-18(11-15)22(25-13-24-20)28-9-7-17(29)8-10-28/h1-6,11-13H,7-10H2,(H,26,27).
What are the key properties of 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one?
1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one has a molecular weight of 387.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one is sourced from PubChem (CID 22032214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).