1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea

C17H24N6O3 — CID 118722871

IUPAC1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CN2CCOCC2)cnc1NC(=O)NC
InChIInChI=1S/C17H24N6O3/c1-3-23-15(4-5-20-23)26-14-10-13(12-22-6-8-25-9-7-22)11-19-16(14)21-17(24)18-2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H2,18,19,21,24)
InChIKeyFBHHXGVYPKMYLE-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.67
Rot. Bonds6

About 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea

1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea (PubChem CID 118722871) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea
PubChem CID118722871
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CN2CCOCC2)cnc1NC(=O)NC
InChIInChI=1S/C17H24N6O3/c1-3-23-15(4-5-20-23)26-14-10-13(12-22-6-8-25-9-7-22)11-19-16(14)21-17(24)18-2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H2,18,19,21,24)
InChIKeyFBHHXGVYPKMYLE-UHFFFAOYSA-N
XLogP1.67
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea (CID 118722871) is 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea is CCn1nccc1Oc1cc(CN2CCOCC2)cnc1NC(=O)NC.
What is the InChIKey of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The InChIKey is FBHHXGVYPKMYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-23-15(4-5-20-23)26-14-10-13(12-22-6-8-25-9-7-22)11-19-16(14)21-17(24)18-2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H2,18,19,21,24).
What are the key properties of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea?
1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea has a molecular weight of 360.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 118722871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).