1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea

C18H20N6O2 — CID 47050034

IUPAC1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
SMILESCOCCN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C18H20N6O2/c1-26-13-12-23(14-15-6-2-3-8-19-15)18(25)22-16-7-4-9-20-17(16)24-11-5-10-21-24/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyABMYVULGCLGCIV-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.34
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea

1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 47050034) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID47050034
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
SMILESCOCCN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C18H20N6O2/c1-26-13-12-23(14-15-6-2-3-8-19-15)18(25)22-16-7-4-9-20-17(16)24-11-5-10-21-24/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyABMYVULGCLGCIV-UHFFFAOYSA-N
XLogP2.34
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea (CID 47050034) is 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea is COCCN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is ABMYVULGCLGCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-13-12-23(14-15-6-2-3-8-19-15)18(25)22-16-7-4-9-20-17(16)24-11-5-10-21-24/h2-11H,12-14H2,1H3,(H,22,25).
What are the key properties of 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea?
1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 352.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47050034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).