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

C14H13F3N6 — CID 135335888

IUPAC4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F
InChIInChI=1S/C14H13F3N6/c1-7-20-10-3-2-9(8-4-11(18)22-12(19)5-8)21-13(10)23(7)6-14(15,16)17/h2-5H,6H2,1H3,(H4,18,19,22)
InChIKeyQHTJZFWEQYRYQE-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.53
Rot. Bonds2

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

4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335888) has the molecular formula C14H13F3N6 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335888
Molecular FormulaC14H13F3N6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Name4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F
InChIInChI=1S/C14H13F3N6/c1-7-20-10-3-2-9(8-4-11(18)22-12(19)5-8)21-13(10)23(7)6-14(15,16)17/h2-5H,6H2,1H3,(H4,18,19,22)
InChIKeyQHTJZFWEQYRYQE-UHFFFAOYSA-N
XLogP2.53
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335888) is 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F.
What is the InChIKey of 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is QHTJZFWEQYRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6/c1-7-20-10-3-2-9(8-4-11(18)22-12(19)5-8)21-13(10)23(7)6-14(15,16)17/h2-5H,6H2,1H3,(H4,18,19,22).
What are the key properties of 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 322.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).