6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine

C18H13ClN4 — CID 10426186

IUPAC6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
SMILESClc1cc2[nH]nc(Nc3ccccn3)c2cc1-c1ccccc1
InChIInChI=1S/C18H13ClN4/c19-15-11-16-14(10-13(15)12-6-2-1-3-7-12)18(23-22-16)21-17-8-4-5-9-20-17/h1-11H,(H2,20,21,22,23)
InChIKeyLWPWJTRRZSRIKZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.02
Rot. Bonds3

About 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine

6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine (PubChem CID 10426186) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
PubChem CID10426186
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
SMILESClc1cc2[nH]nc(Nc3ccccn3)c2cc1-c1ccccc1
InChIInChI=1S/C18H13ClN4/c19-15-11-16-14(10-13(15)12-6-2-1-3-7-12)18(23-22-16)21-17-8-4-5-9-20-17/h1-11H,(H2,20,21,22,23)
InChIKeyLWPWJTRRZSRIKZ-UHFFFAOYSA-N
XLogP5.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine (CID 10426186) is 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine is Clc1cc2[nH]nc(Nc3ccccn3)c2cc1-c1ccccc1.
What is the InChIKey of 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine?
The InChIKey is LWPWJTRRZSRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-15-11-16-14(10-13(15)12-6-2-1-3-7-12)18(23-22-16)21-17-8-4-5-9-20-17/h1-11H,(H2,20,21,22,23).
What are the key properties of 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine?
6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine has a molecular weight of 320.78 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine is sourced from PubChem (CID 10426186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).