4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C14H14F2N6 — CID 135335870

IUPAC4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)F
InChIInChI=1S/C14H14F2N6/c1-7-19-10-3-2-9(8-4-12(17)21-13(18)5-8)20-14(10)22(7)6-11(15)16/h2-5,11H,6H2,1H3,(H4,17,18,21)
InChIKeyJQVRJDHSZIESJC-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.23
Rot. Bonds3

About 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335870) has the molecular formula C14H14F2N6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335870
Molecular FormulaC14H14F2N6
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)F
InChIInChI=1S/C14H14F2N6/c1-7-19-10-3-2-9(8-4-12(17)21-13(18)5-8)20-14(10)22(7)6-11(15)16/h2-5,11H,6H2,1H3,(H4,17,18,21)
InChIKeyJQVRJDHSZIESJC-UHFFFAOYSA-N
XLogP2.23
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335870) is 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)F.
What is the InChIKey of 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is JQVRJDHSZIESJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6/c1-7-19-10-3-2-9(8-4-12(17)21-13(18)5-8)20-14(10)22(7)6-11(15)16/h2-5,11H,6H2,1H3,(H4,17,18,21).
What are the key properties of 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 304.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).