2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile

C26H19N5O2 — CID 118138235

IUPAC2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile
SMILESCc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
InChIInChI=1S/C26H19N5O2/c1-16-12-19(33-24-9-5-3-7-18(24)14-27)10-11-23(16)31-26(28)20(15-29-31)25(32)22-13-17-6-2-4-8-21(17)30-22/h2-13,15,30H,28H2,1H3
InChIKeyQZLZKSBUSPLIFW-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.14
Rot. Bonds5

About 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile

2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile (PubChem CID 118138235) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile.

Molecular Properties

Compound Name2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile
PubChem CID118138235
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile
SMILESCc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
InChIInChI=1S/C26H19N5O2/c1-16-12-19(33-24-9-5-3-7-18(24)14-27)10-11-23(16)31-26(28)20(15-29-31)25(32)22-13-17-6-2-4-8-21(17)30-22/h2-13,15,30H,28H2,1H3
InChIKeyQZLZKSBUSPLIFW-UHFFFAOYSA-N
XLogP5.14
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]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 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile?
The IUPAC name of 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile (CID 118138235) is 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile.
What is the SMILES notation for 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile?
The canonical SMILES for 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile is Cc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N.
What is the InChIKey of 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile?
The InChIKey is QZLZKSBUSPLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-16-12-19(33-24-9-5-3-7-18(24)14-27)10-11-23(16)31-26(28)20(15-29-31)25(32)22-13-17-6-2-4-8-21(17)30-22/h2-13,15,30H,28H2,1H3.
What are the key properties of 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile?
2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile has a molecular weight of 433.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]benzonitrile is sourced from PubChem (CID 118138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).