6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine

C20H20F2N6O — CID 68520292

IUPAC6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(Nc2nc3c(cc2F)ncn3C(C)c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(26-27-18)24-19-15(22)8-16-20(25-19)28(10-23-16)12(3)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H2,24,25,26,27)
InChIKeyGTQWPQWZQDJIDK-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.57
Rot. Bonds6

About 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine

6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 68520292) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID68520292
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(Nc2nc3c(cc2F)ncn3C(C)c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(26-27-18)24-19-15(22)8-16-20(25-19)28(10-23-16)12(3)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H2,24,25,26,27)
InChIKeyGTQWPQWZQDJIDK-UHFFFAOYSA-N
XLogP4.57
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (CID 68520292) is 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3C(C)c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GTQWPQWZQDJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(26-27-18)24-19-15(22)8-16-20(25-19)28(10-23-16)12(3)13-4-6-14(21)7-5-13/h4-12H,1-3H3,(H2,24,25,26,27).
What are the key properties of 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 398.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 68520292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).