4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C16H17F3N6 — CID 135335802

IUPAC4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC(F)(F)F
InChIInChI=1S/C16H17F3N6/c1-9-22-12-4-3-11(10-7-13(20)24-14(21)8-10)23-15(12)25(9)6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3,(H4,20,21,24)
InChIKeyLQSUUCXGVOHOFM-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.31
Rot. Bonds4

About 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335802) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335802
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Name4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC(F)(F)F
InChIInChI=1S/C16H17F3N6/c1-9-22-12-4-3-11(10-7-13(20)24-14(21)8-10)23-15(12)25(9)6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3,(H4,20,21,24)
InChIKeyLQSUUCXGVOHOFM-UHFFFAOYSA-N
XLogP3.31
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335802) is 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC(F)(F)F.
What is the InChIKey of 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is LQSUUCXGVOHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c1-9-22-12-4-3-11(10-7-13(20)24-14(21)8-10)23-15(12)25(9)6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3,(H4,20,21,24).
What are the key properties of 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 350.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).