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

C16H12F3N5O — CID 122654404

IUPAC2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C16H12F3N5O/c1-8-5-10(6-9-7-20-23-13(8)9)24-14-11(21-15(24)25-2)3-4-12(22-14)16(17,18)19/h3-7H,1-2H3,(H,20,23)
InChIKeyNNKRAMQZYWIDGH-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.63
Rot. Bonds2

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

2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654404) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654404
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C16H12F3N5O/c1-8-5-10(6-9-7-20-23-13(8)9)24-14-11(21-15(24)25-2)3-4-12(22-14)16(17,18)19/h3-7H,1-2H3,(H,20,23)
InChIKeyNNKRAMQZYWIDGH-UHFFFAOYSA-N
XLogP3.63
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654404) is 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is COc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is NNKRAMQZYWIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-8-5-10(6-9-7-20-23-13(8)9)24-14-11(21-15(24)25-2)3-4-12(22-14)16(17,18)19/h3-7H,1-2H3,(H,20,23).
What are the key properties of 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 347.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).