N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide

C28H25N7O — CID 22032058

IUPACN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)c1ccccc1
InChIInChI=1S/C28H25N7O/c36-28(20-5-2-1-3-6-20)33-23-7-4-8-24(16-23)34-11-13-35(14-12-34)27-25-15-21(22-17-31-32-18-22)9-10-26(25)29-19-30-27/h1-10,15-19H,11-14H2,(H,31,32)(H,33,36)
InChIKeyUWGMUNPBWAJFDZ-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.60
Rot. Bonds5

About N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide

N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide (PubChem CID 22032058) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
PubChem CID22032058
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC NameN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)c1ccccc1
InChIInChI=1S/C28H25N7O/c36-28(20-5-2-1-3-6-20)33-23-7-4-8-24(16-23)34-11-13-35(14-12-34)27-25-15-21(22-17-31-32-18-22)9-10-26(25)29-19-30-27/h1-10,15-19H,11-14H2,(H,31,32)(H,33,36)
InChIKeyUWGMUNPBWAJFDZ-UHFFFAOYSA-N
XLogP4.60
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
CID 159342726
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
4-[4-(3-propan-2-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031492
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
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
N-benzyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22031106
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
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
4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;hydrochloride
CID 22032454

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide?
The IUPAC name of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide (CID 22032058) is N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide is O=C(Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)c1ccccc1.
What is the InChIKey of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide?
The InChIKey is UWGMUNPBWAJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c36-28(20-5-2-1-3-6-20)33-23-7-4-8-24(16-23)34-11-13-35(14-12-34)27-25-15-21(22-17-31-32-18-22)9-10-26(25)29-19-30-27/h1-10,15-19H,11-14H2,(H,31,32)(H,33,36).
What are the key properties of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide?
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide has a molecular weight of 475.56 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 22032058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).