4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile

C33H34N6 — CID 66680661

IUPAC4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
SMILESCc1nn(-c2ccc(C#N)c(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C33H34N6/c1-21-31-27(24-15-22-9-6-7-11-28(22)35-20-24)10-8-12-30(31)39(37-21)26-14-13-23(19-34)29(16-26)36-25-17-32(2,3)38-33(4,5)18-25/h6-16,20,25,36,38H,17-18H2,1-5H3
InChIKeyPXUCZSIYEFBPMV-UHFFFAOYSA-N
MW514.68 g/mol
LogP7.14
Rot. Bonds4

About 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile

4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile (PubChem CID 66680661) has the molecular formula C33H34N6 and a molecular weight of 514.68 g/mol. Its IUPAC name is 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
PubChem CID66680661
Molecular FormulaC33H34N6
Molecular Weight514.68 g/mol
Exact Mass514.28
IUPAC Name4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
SMILESCc1nn(-c2ccc(C#N)c(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C33H34N6/c1-21-31-27(24-15-22-9-6-7-11-28(22)35-20-24)10-8-12-30(31)39(37-21)26-14-13-23(19-34)29(16-26)36-25-17-32(2,3)38-33(4,5)18-25/h6-16,20,25,36,38H,17-18H2,1-5H3
InChIKeyPXUCZSIYEFBPMV-UHFFFAOYSA-N
XLogP7.14
TPSA78.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.68
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile (CID 66680661) is 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile is Cc1nn(-c2ccc(C#N)c(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12.
What is the InChIKey of 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile?
The InChIKey is PXUCZSIYEFBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6/c1-21-31-27(24-15-22-9-6-7-11-28(22)35-20-24)10-8-12-30(31)39(37-21)26-14-13-23(19-34)29(16-26)36-25-17-32(2,3)38-33(4,5)18-25/h6-16,20,25,36,38H,17-18H2,1-5H3.
What are the key properties of 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile?
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile has a molecular weight of 514.68 g/mol, XLogP of 7.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 66680661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).