3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine

C20H20ClFN4O2 — CID 146185191

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H20ClFN4O2/c1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16/h2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24)
InChIKeyMASVJIOKTQWYRN-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.42
Rot. Bonds5

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 146185191) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID146185191
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H20ClFN4O2/c1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16/h2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24)
InChIKeyMASVJIOKTQWYRN-UHFFFAOYSA-N
XLogP4.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine (CID 146185191) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is MASVJIOKTQWYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16/h2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 402.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 146185191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).