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

C22H21FN6 — CID 22031499

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C22H21FN6/c1-28-8-10-29(11-9-28)22-18-12-16(4-7-20(18)24-14-25-22)19-13-26-27-21(19)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeySNGXMTLGDXXXSV-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.58
Rot. Bonds3

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

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 22031499) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID22031499
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C22H21FN6/c1-28-8-10-29(11-9-28)22-18-12-16(4-7-20(18)24-14-25-22)19-13-26-27-21(19)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,26,27)
InChIKeySNGXMTLGDXXXSV-UHFFFAOYSA-N
XLogP3.58
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline (CID 22031499) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is SNGXMTLGDXXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-28-8-10-29(11-9-28)22-18-12-16(4-7-20(18)24-14-25-22)19-13-26-27-21(19)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,26,27).
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 388.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 22031499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).