3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine

C20H16ClFN4O — CID 146185205

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cnn3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H16ClFN4O/c1-12(15-9-14(22)5-6-17(15)21)27-19-8-13(10-24-20(19)23)16-11-25-26-7-3-2-4-18(16)26/h2-12H,1H3,(H2,23,24)
InChIKeyAKUUDOOIXFRFPV-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.91
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine (PubChem CID 146185205) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
PubChem CID146185205
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cnn3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H16ClFN4O/c1-12(15-9-14(22)5-6-17(15)21)27-19-8-13(10-24-20(19)23)16-11-25-26-7-3-2-4-18(16)26/h2-12H,1H3,(H2,23,24)
InChIKeyAKUUDOOIXFRFPV-UHFFFAOYSA-N
XLogP4.91
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine (CID 146185205) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine is CC(Oc1cc(-c2cnn3ccccc23)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine?
The InChIKey is AKUUDOOIXFRFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-12(15-9-14(22)5-6-17(15)21)27-19-8-13(10-24-20(19)23)16-11-25-26-7-3-2-4-18(16)26/h2-12H,1H3,(H2,23,24).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine has a molecular weight of 382.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 146185205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).