6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine

C18H21BrN6 — CID 133446921

IUPAC6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3cnn(CCN4CCCCC4)c3)c2c1
InChIInChI=1S/C18H21BrN6/c19-14-4-5-17-16(10-14)18(21-13-20-17)23-15-11-22-25(12-15)9-8-24-6-2-1-3-7-24/h4-5,10-13H,1-3,6-9H2,(H,20,21,23)
InChIKeyCVFJSKHPWHSJAU-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.82
Rot. Bonds5

About 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine

6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine (PubChem CID 133446921) has the molecular formula C18H21BrN6 and a molecular weight of 401.31 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
PubChem CID133446921
Molecular FormulaC18H21BrN6
Molecular Weight401.31 g/mol
Exact Mass400.10
IUPAC Name6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3cnn(CCN4CCCCC4)c3)c2c1
InChIInChI=1S/C18H21BrN6/c19-14-4-5-17-16(10-14)18(21-13-20-17)23-15-11-22-25(12-15)9-8-24-6-2-1-3-7-24/h4-5,10-13H,1-3,6-9H2,(H,20,21,23)
InChIKeyCVFJSKHPWHSJAU-UHFFFAOYSA-N
XLogP3.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine (CID 133446921) is 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine is Brc1ccc2ncnc(Nc3cnn(CCN4CCCCC4)c3)c2c1.
What is the InChIKey of 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine?
The InChIKey is CVFJSKHPWHSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6/c19-14-4-5-17-16(10-14)18(21-13-20-17)23-15-11-22-25(12-15)9-8-24-6-2-1-3-7-24/h4-5,10-13H,1-3,6-9H2,(H,20,21,23).
What are the key properties of 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine?
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine has a molecular weight of 401.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine is sourced from PubChem (CID 133446921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).