5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

C20H15N5 — CID 166551414

IUPAC5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESCc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1
InChIInChI=1S/C20H15N5/c1-13-2-4-18(15(10-13)12-21)23-16-3-5-19-17(11-16)20(25-24-19)14-6-8-22-9-7-14/h2-11,23H,1H3,(H,24,25)
InChIKeyAUJMMKVJUKYWCO-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.55
Rot. Bonds3

About 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (PubChem CID 166551414) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
PubChem CID166551414
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESCc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1
InChIInChI=1S/C20H15N5/c1-13-2-4-18(15(10-13)12-21)23-16-3-5-19-17(11-16)20(25-24-19)14-6-8-22-9-7-14/h2-11,23H,1H3,(H,24,25)
InChIKeyAUJMMKVJUKYWCO-UHFFFAOYSA-N
XLogP4.55
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The IUPAC name of 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (CID 166551414) is 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The canonical SMILES for 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The InChIKey is AUJMMKVJUKYWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-13-2-4-18(15(10-13)12-21)23-16-3-5-19-17(11-16)20(25-24-19)14-6-8-22-9-7-14/h2-11,23H,1H3,(H,24,25).
What are the key properties of 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile has a molecular weight of 325.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 166551414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).