5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine

C22H21FN6O — CID 44548277

IUPAC5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine
SMILESFCCOc1cccc(-c2cc(-c3ccc(NCCc4cnccn4)nc3)n[nH]2)c1
InChIInChI=1S/C22H21FN6O/c23-7-11-30-19-3-1-2-16(12-19)20-13-21(29-28-20)17-4-5-22(27-14-17)26-8-6-18-15-24-9-10-25-18/h1-5,9-10,12-15H,6-8,11H2,(H,26,27)(H,28,29)
InChIKeyXCEHTZBNMVZOKV-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.93
Rot. Bonds9

About 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine

5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine (PubChem CID 44548277) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine
PubChem CID44548277
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine
SMILESFCCOc1cccc(-c2cc(-c3ccc(NCCc4cnccn4)nc3)n[nH]2)c1
InChIInChI=1S/C22H21FN6O/c23-7-11-30-19-3-1-2-16(12-19)20-13-21(29-28-20)17-4-5-22(27-14-17)26-8-6-18-15-24-9-10-25-18/h1-5,9-10,12-15H,6-8,11H2,(H,26,27)(H,28,29)
InChIKeyXCEHTZBNMVZOKV-UHFFFAOYSA-N
XLogP3.93
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine (CID 44548277) is 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine is FCCOc1cccc(-c2cc(-c3ccc(NCCc4cnccn4)nc3)n[nH]2)c1.
What is the InChIKey of 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine?
The InChIKey is XCEHTZBNMVZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-7-11-30-19-3-1-2-16(12-19)20-13-21(29-28-20)17-4-5-22(27-14-17)26-8-6-18-15-24-9-10-25-18/h1-5,9-10,12-15H,6-8,11H2,(H,26,27)(H,28,29).
What are the key properties of 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine?
5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine has a molecular weight of 404.45 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N-(2-pyrazin-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 44548277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).