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

C18H15ClF3N5 — CID 122654566

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C18H15ClF3N5/c1-9(2)5-15-24-13-3-4-14(18(20,21)22)25-17(13)27(15)11-6-10-8-23-26-16(10)12(19)7-11/h3-4,6-9H,5H2,1-2H3,(H,23,26)
InChIKeyLQXSJJOMGYUNNU-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.17
Rot. Bonds3

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

3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654566) has the molecular formula C18H15ClF3N5 and a molecular weight of 393.80 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654566
Molecular FormulaC18H15ClF3N5
Molecular Weight393.80 g/mol
Exact Mass393.10
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C18H15ClF3N5/c1-9(2)5-15-24-13-3-4-14(18(20,21)22)25-17(13)27(15)11-6-10-8-23-26-16(10)12(19)7-11/h3-4,6-9H,5H2,1-2H3,(H,23,26)
InChIKeyLQXSJJOMGYUNNU-UHFFFAOYSA-N
XLogP5.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.17
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-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654566) is 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is LQXSJJOMGYUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5/c1-9(2)5-15-24-13-3-4-14(18(20,21)22)25-17(13)27(15)11-6-10-8-23-26-16(10)12(19)7-11/h3-4,6-9H,5H2,1-2H3,(H,23,26).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 393.80 g/mol, XLogP of 5.17, 3 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-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).