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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Related Compounds

CID 136126928
CID 136126928
CID 122654337
CID 122654337
CID 122654365
CID 122654365
CID 122654374
CID 122654374
CID 122654382
CID 122654382
CID 122654383
CID 122654383
CID 122654403
CID 122654403
CID 122654404
CID 122654404
CID 122654405
CID 122654405
CID 122654408
CID 122654408
CID 122654411
CID 122654411
CID 122654423
CID 122654423

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).