N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine

C26H21N7 — CID 22609868

IUPACN-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine
SMILESCn1cncc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
InChIInChI=1S/C26H21N7/c1-32-17-27-14-25(32)19-7-9-23-22(12-19)26(29-16-28-23)31-21-8-10-24-20(11-21)13-30-33(24)15-18-5-3-2-4-6-18/h2-14,16-17H,15H2,1H3,(H,28,29,31)
InChIKeyWEVYGRGHPNEVKY-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.17
Rot. Bonds5

About N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine

N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine (PubChem CID 22609868) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine
PubChem CID22609868
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC NameN-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine
SMILESCn1cncc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
InChIInChI=1S/C26H21N7/c1-32-17-27-14-25(32)19-7-9-23-22(12-19)26(29-16-28-23)31-21-8-10-24-20(11-21)13-30-33(24)15-18-5-3-2-4-6-18/h2-14,16-17H,15H2,1H3,(H,28,29,31)
InChIKeyWEVYGRGHPNEVKY-UHFFFAOYSA-N
XLogP5.17
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine (CID 22609868) is N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine is Cn1cncc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1.
What is the InChIKey of N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine?
The InChIKey is WEVYGRGHPNEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-32-17-27-14-25(32)19-7-9-23-22(12-19)26(29-16-28-23)31-21-8-10-24-20(11-21)13-30-33(24)15-18-5-3-2-4-6-18/h2-14,16-17H,15H2,1H3,(H,28,29,31).
What are the key properties of N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine?
N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine has a molecular weight of 431.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-6-(3-methylimidazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 22609868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).