3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine

C15H6ClF6N5 — CID 122654373

IUPAC3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4cn[nH]c4c3)c2n1
InChIInChI=1S/C15H6ClF6N5/c16-8-3-6(4-10-7(8)5-23-26-10)27-12-9(24-13(27)15(20,21)22)1-2-11(25-12)14(17,18)19/h1-5H,(H,23,26)
InChIKeyHMZVPMNHLOCSAA-UHFFFAOYSA-N
MW405.69 g/mol
LogP4.99
Rot. Bonds1

About 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine

3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654373) has the molecular formula C15H6ClF6N5 and a molecular weight of 405.69 g/mol. Its IUPAC name is 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654373
Molecular FormulaC15H6ClF6N5
Molecular Weight405.69 g/mol
Exact Mass405.02
IUPAC Name3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4cn[nH]c4c3)c2n1
InChIInChI=1S/C15H6ClF6N5/c16-8-3-6(4-10-7(8)5-23-26-10)27-12-9(24-13(27)15(20,21)22)1-2-11(25-12)14(17,18)19/h1-5H,(H,23,26)
InChIKeyHMZVPMNHLOCSAA-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227315
3-(4-Fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227333
2-Cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(perfluoroethyl)phenyl]imidazo[1,2-a]pyrazine
CID 135227336
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227344
3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazine
CID 135227353
3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 135227358
6-chloro-2-methyl-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 136126928
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazine
CID 142401394
3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142401415
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142401416

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654373) is 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4cn[nH]c4c3)c2n1.
What is the InChIKey of 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is HMZVPMNHLOCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N5/c16-8-3-6(4-10-7(8)5-23-26-10)27-12-9(24-13(27)15(20,21)22)1-2-11(25-12)14(17,18)19/h1-5H,(H,23,26).
What are the key properties of 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 405.69 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indazol-6-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).