1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile

C23H20N6 — CID 66750079

IUPAC1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nc(-n3cccn3)nc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H20N6/c24-16-17-9-13-28(14-10-17)22-20-15-19(18-5-2-1-3-6-18)7-8-21(20)26-23(27-22)29-12-4-11-25-29/h1-8,11-12,15,17H,9-10,13-14H2
InChIKeyVHLUEMGSVWBYJP-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.22
Rot. Bonds3

About 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile

1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile (PubChem CID 66750079) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile
PubChem CID66750079
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nc(-n3cccn3)nc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H20N6/c24-16-17-9-13-28(14-10-17)22-20-15-19(18-5-2-1-3-6-18)7-8-21(20)26-23(27-22)29-12-4-11-25-29/h1-8,11-12,15,17H,9-10,13-14H2
InChIKeyVHLUEMGSVWBYJP-UHFFFAOYSA-N
XLogP4.22
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile (CID 66750079) is 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile is N#CC1CCN(c2nc(-n3cccn3)nc3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile?
The InChIKey is VHLUEMGSVWBYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c24-16-17-9-13-28(14-10-17)22-20-15-19(18-5-2-1-3-6-18)7-8-21(20)26-23(27-22)29-12-4-11-25-29/h1-8,11-12,15,17H,9-10,13-14H2.
What are the key properties of 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile?
1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile has a molecular weight of 380.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-2-pyrazol-1-ylquinazolin-4-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 66750079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).