4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane

C22H23FN6 — CID 159342726

IUPAC4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
SMILESC.Fc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1
InChIInChI=1S/C21H19FN6.CH4/c22-17-2-1-3-18(11-17)27-6-8-28(9-7-27)21-19-10-15(16-12-25-26-13-16)4-5-20(19)23-14-24-21;/h1-5,10-14H,6-9H2,(H,25,26);1H4
InChIKeyLGIIEJSHVRQEEA-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.12
Rot. Bonds3

About 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane

4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane (PubChem CID 159342726) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
PubChem CID159342726
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
SMILESC.Fc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1
InChIInChI=1S/C21H19FN6.CH4/c22-17-2-1-3-18(11-17)27-6-8-28(9-7-27)21-19-10-15(16-12-25-26-13-16)4-5-20(19)23-14-24-21;/h1-5,10-14H,6-9H2,(H,25,26);1H4
InChIKeyLGIIEJSHVRQEEA-UHFFFAOYSA-N
XLogP4.12
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
4-[4-(3-propan-2-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031492
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058
tris(2,2,2-trifluoroacetic acid);N,2,2-trimethyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]propanamide
CID 22031934
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
N-(2,2-dimethylpropyl)-2,2,2-trifluoro-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]acetamide
CID 87584608
N-benzyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22031106
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane?
The IUPAC name of 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane (CID 159342726) is 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane.
What is the SMILES notation for 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane?
The canonical SMILES for 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane is C.Fc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane?
The InChIKey is LGIIEJSHVRQEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6.CH4/c22-17-2-1-3-18(11-17)27-6-8-28(9-7-27)21-19-10-15(16-12-25-26-13-16)4-5-20(19)23-14-24-21;/h1-5,10-14H,6-9H2,(H,25,26);1H4.
What are the key properties of 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane?
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane has a molecular weight of 390.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane is sourced from PubChem (CID 159342726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).