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

C18H13F6N5 — CID 122654365

IUPAC3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCCc1cc(-n2c(C(F)(F)F)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C18H13F6N5/c1-2-3-9-6-11(7-10-8-25-28-14(9)10)29-15-12(26-16(29)18(22,23)24)4-5-13(27-15)17(19,20)21/h4-8H,2-3H2,1H3,(H,25,28)
InChIKeyVRPJMOOHJXHQAV-UHFFFAOYSA-N
MW413.33 g/mol
LogP5.29
Rot. Bonds3

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

3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654365) has the molecular formula C18H13F6N5 and a molecular weight of 413.33 g/mol. Its IUPAC name is 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654365
Molecular FormulaC18H13F6N5
Molecular Weight413.33 g/mol
Exact Mass413.11
IUPAC Name3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCCc1cc(-n2c(C(F)(F)F)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C18H13F6N5/c1-2-3-9-6-11(7-10-8-25-28-14(9)10)29-15-12(26-16(29)18(22,23)24)4-5-13(27-15)17(19,20)21/h4-8H,2-3H2,1H3,(H,25,28)
InChIKeyVRPJMOOHJXHQAV-UHFFFAOYSA-N
XLogP5.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654365) is 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is CCCc1cc(-n2c(C(F)(F)F)nc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is VRPJMOOHJXHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5/c1-2-3-9-6-11(7-10-8-25-28-14(9)10)29-15-12(26-16(29)18(22,23)24)4-5-13(27-15)17(19,20)21/h4-8H,2-3H2,1H3,(H,25,28).
What are the key properties of 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 413.33 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propyl-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).