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

C16H14ClN5 — CID 176780879

IUPAC3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole
SMILESClc1nn(CC2=NCCN2)c2c(-c3cccnc3)cccc12
InChIInChI=1S/C16H14ClN5/c17-16-13-5-1-4-12(11-3-2-6-18-9-11)15(13)22(21-16)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeyRMJQHSKFFNLOMD-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.75
Rot. Bonds3

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

3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole (PubChem CID 176780879) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole.

Molecular Properties

Compound Name3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole
PubChem CID176780879
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole
SMILESClc1nn(CC2=NCCN2)c2c(-c3cccnc3)cccc12
InChIInChI=1S/C16H14ClN5/c17-16-13-5-1-4-12(11-3-2-6-18-9-11)15(13)22(21-16)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeyRMJQHSKFFNLOMD-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

7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyridin-3-ylindazole
CID 176780882
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-pyrazol-1-ylindazole
CID 176780864
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
CID 57395354
6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 146376314
cyclopenta[c]azepine
CID 638010
12-(2,6-dipyridin-3-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145010007
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
1-pyridin-3-yl-3,4-dihydroisoquinoline
CID 14192081
3-azulen-6-ylpyridine
CID 86232079
3-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]pyridine
CID 11265631
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole?
The IUPAC name of 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole (CID 176780879) is 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole.
What is the SMILES notation for 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole?
The canonical SMILES for 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole is Clc1nn(CC2=NCCN2)c2c(-c3cccnc3)cccc12.
What is the InChIKey of 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole?
The InChIKey is RMJQHSKFFNLOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-16-13-5-1-4-12(11-3-2-6-18-9-11)15(13)22(21-16)10-14-19-7-8-20-14/h1-6,9H,7-8,10H2,(H,19,20).
What are the key properties of 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole?
3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-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 3-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-pyridin-3-ylindazole is sourced from PubChem (CID 176780879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).