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

C17H11ClF3N5 — CID 122654573

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C3CC3)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C17H11ClF3N5/c18-11-6-10(5-9-7-22-25-14(9)11)26-15(8-1-2-8)23-12-3-4-13(17(19,20)21)24-16(12)26/h3-8H,1-2H2,(H,22,25)
InChIKeyNQHCDXUCICZHIO-UHFFFAOYSA-N
MW377.76 g/mol
LogP4.85
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654573) has the molecular formula C17H11ClF3N5 and a molecular weight of 377.76 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654573
Molecular FormulaC17H11ClF3N5
Molecular Weight377.76 g/mol
Exact Mass377.07
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C3CC3)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C17H11ClF3N5/c18-11-6-10(5-9-7-22-25-14(9)11)26-15(8-1-2-8)23-12-3-4-13(17(19,20)21)24-16(12)26/h3-8H,1-2H2,(H,22,25)
InChIKeyNQHCDXUCICZHIO-UHFFFAOYSA-N
XLogP4.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654573) is 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2nc(C3CC3)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is NQHCDXUCICZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N5/c18-11-6-10(5-9-7-22-25-14(9)11)26-15(8-1-2-8)23-12-3-4-13(17(19,20)21)24-16(12)26/h3-8H,1-2H2,(H,22,25).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 377.76 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indazol-5-yl)-2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).