2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine

C19H15F4N5 — CID 122654434

IUPAC2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C3CC(F)C3)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H15F4N5/c1-9-4-13(7-11-8-24-27-16(9)11)28-17(10-5-12(20)6-10)25-14-2-3-15(19(21,22)23)26-18(14)28/h2-4,7-8,10,12H,5-6H2,1H3,(H,24,27)
InChIKeyVMGFVGIHYMUYCM-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.84
Rot. Bonds2

About 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654434) has the molecular formula C19H15F4N5 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654434
Molecular FormulaC19H15F4N5
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C3CC(F)C3)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H15F4N5/c1-9-4-13(7-11-8-24-27-16(9)11)28-17(10-5-12(20)6-10)25-14-2-3-15(19(21,22)23)26-18(14)28/h2-4,7-8,10,12H,5-6H2,1H3,(H,24,27)
InChIKeyVMGFVGIHYMUYCM-UHFFFAOYSA-N
XLogP4.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

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9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
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3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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CID 141370291
3-(2-aminopyrimidin-5-yl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
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N-ethyl-6-fluoro-3-pyrimidin-5-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597322
N-ethyl-6-fluoro-3-[2-(methylamino)pyrimidin-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597414
3-(5-aminopyridin-3-yl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646535
N-ethyl-6-fluoro-3-(2-methylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646638

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654434) is 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is Cc1cc(-n2c(C3CC(F)C3)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is VMGFVGIHYMUYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5/c1-9-4-13(7-11-8-24-27-16(9)11)28-17(10-5-12(20)6-10)25-14-2-3-15(19(21,22)23)26-18(14)28/h2-4,7-8,10,12H,5-6H2,1H3,(H,24,27).
What are the key properties of 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 389.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).