6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline

C26H23FN6O2S2 — CID 22031484

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cc34)s2)CC1
InChIInChI=1S/C26H23FN6O2S2/c1-32-10-12-33(13-11-32)37(34,35)24-9-8-23(36-24)26-20-14-18(4-7-22(20)28-16-29-26)21-15-30-31-25(21)17-2-5-19(27)6-3-17/h2-9,14-16H,10-13H2,1H3,(H,30,31)
InChIKeyHKGYLZBQKTWDBZ-UHFFFAOYSA-N
MW534.64 g/mol
LogP4.49
Rot. Bonds5

About 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline (PubChem CID 22031484) has the molecular formula C26H23FN6O2S2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline
PubChem CID22031484
Molecular FormulaC26H23FN6O2S2
Molecular Weight534.64 g/mol
Exact Mass534.13
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cc34)s2)CC1
InChIInChI=1S/C26H23FN6O2S2/c1-32-10-12-33(13-11-32)37(34,35)24-9-8-23(36-24)26-20-14-18(4-7-22(20)28-16-29-26)21-15-30-31-25(21)17-2-5-19(27)6-3-17/h2-9,14-16H,10-13H2,1H3,(H,30,31)
InChIKeyHKGYLZBQKTWDBZ-UHFFFAOYSA-N
XLogP4.49
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline (CID 22031484) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline is CN1CCN(S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cc34)s2)CC1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline?
The InChIKey is HKGYLZBQKTWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2S2/c1-32-10-12-33(13-11-32)37(34,35)24-9-8-23(36-24)26-20-14-18(4-7-22(20)28-16-29-26)21-15-30-31-25(21)17-2-5-19(27)6-3-17/h2-9,14-16H,10-13H2,1H3,(H,30,31).
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline has a molecular weight of 534.64 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]quinazoline is sourced from PubChem (CID 22031484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).