7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole

C16H14ClN5 — CID 176780882

IUPAC7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole
SMILESClc1cccc2c(-c3cccnc3)nn(CC3=NCCN3)c12
InChIInChI=1S/C16H14ClN5/c17-13-5-1-4-12-15(11-3-2-6-18-9-11)21-22(16(12)13)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeyRWWHKAGTMLVKME-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.75
Rot. Bonds3

About 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole

7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole (PubChem CID 176780882) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole.

Molecular Properties

Compound Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole
PubChem CID176780882
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole
SMILESClc1cccc2c(-c3cccnc3)nn(CC3=NCCN3)c12
InChIInChI=1S/C16H14ClN5/c17-13-5-1-4-12-15(11-3-2-6-18-9-11)21-22(16(12)13)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeyRWWHKAGTMLVKME-UHFFFAOYSA-N
XLogP2.75
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole
CID 176780879
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole
CID 176780864
2-[(2-chloro-6-iodophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24779846
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
CID 57395354
2-[3-chloro-2-(2,6-dichlorophenyl)propyl]-4,5-dihydro-1H-imidazole;hydrobromide
CID 22759466
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
1-(4-chlorophenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4590575
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401
2-(2-phenylsulfanylethyl)-4-pyridin-3-ylphthalazin-1-one
CID 11725990
4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
CID 110458993
2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 150087944
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole?
The IUPAC name of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole (CID 176780882) is 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole.
What is the SMILES notation for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole?
The canonical SMILES for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole is Clc1cccc2c(-c3cccnc3)nn(CC3=NCCN3)c12.
What is the InChIKey of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole?
The InChIKey is RWWHKAGTMLVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-13-5-1-4-12-15(11-3-2-6-18-9-11)21-22(16(12)13)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20).
What are the key properties of 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole?
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole has a molecular weight of 311.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole is sourced from PubChem (CID 176780882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).