5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile

C23H15N5 — CID 166551356

IUPAC5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1
InChIInChI=1S/C23H15N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h1-13,26H,(H,27,28)
InChIKeyAZGKLZGDJGQVGI-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.39
Rot. Bonds3

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

5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile (PubChem CID 166551356) has the molecular formula C23H15N5 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile
PubChem CID166551356
Molecular FormulaC23H15N5
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1
InChIInChI=1S/C23H15N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h1-13,26H,(H,27,28)
InChIKeyAZGKLZGDJGQVGI-UHFFFAOYSA-N
XLogP5.39
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile?
The IUPAC name of 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile (CID 166551356) is 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile.
What is the SMILES notation for 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile?
The canonical SMILES for 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile is N#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1.
What is the InChIKey of 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile?
The InChIKey is AZGKLZGDJGQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h1-13,26H,(H,27,28).
What are the key properties of 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile?
5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]naphthalene-2-carbonitrile is sourced from PubChem (CID 166551356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).