5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole

C18H13ClN4 — CID 58540833

IUPAC5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole
SMILESClc1cccnc1-c1ccc2n[nH]c(Cc3ccccn3)c2c1
InChIInChI=1S/C18H13ClN4/c19-15-5-3-9-21-18(15)12-6-7-16-14(10-12)17(23-22-16)11-13-4-1-2-8-20-13/h1-10H,11H2,(H,22,23)
InChIKeyGJINQTSJRJXYML-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.26
Rot. Bonds3

About 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole

5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole (PubChem CID 58540833) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole
PubChem CID58540833
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole
SMILESClc1cccnc1-c1ccc2n[nH]c(Cc3ccccn3)c2c1
InChIInChI=1S/C18H13ClN4/c19-15-5-3-9-21-18(15)12-6-7-16-14(10-12)17(23-22-16)11-13-4-1-2-8-20-13/h1-10H,11H2,(H,22,23)
InChIKeyGJINQTSJRJXYML-UHFFFAOYSA-N
XLogP4.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
3-pyridin-4-yl-1H-indazole
CID 12412578
N-(4-pyridinyl)-1H-indol-1-amine
CID 3081186
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
(E)-3-[4-[(E)-2-(3-chloro-4-pyridinyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66803137
N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
Nicotinaldehyde (7-chloroquinolin-4-yl)hydrazone
CID 9621363
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole (CID 58540833) is 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole is Clc1cccnc1-c1ccc2n[nH]c(Cc3ccccn3)c2c1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole?
The InChIKey is GJINQTSJRJXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-15-5-3-9-21-18(15)12-6-7-16-14(10-12)17(23-22-16)11-13-4-1-2-8-20-13/h1-10H,11H2,(H,22,23).
What are the key properties of 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole?
5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole has a molecular weight of 320.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-3-(pyridin-2-ylmethyl)-2H-indazole is sourced from PubChem (CID 58540833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).