1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C16H18N6O3 — CID 118365200

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCOc1ncccc1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1
InChIInChI=1S/C16H18N6O3/c1-3-25-14-10(5-4-6-17-14)8-19-16(23)20-13-7-12-11(9-18-13)15(24-2)22-21-12/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H2,18,19,20,23)
InChIKeyMWFZYMXXVJEJCS-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.08
Rot. Bonds6

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365200) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365200
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCOc1ncccc1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1
InChIInChI=1S/C16H18N6O3/c1-3-25-14-10(5-4-6-17-14)8-19-16(23)20-13-7-12-11(9-18-13)15(24-2)22-21-12/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H2,18,19,20,23)
InChIKeyMWFZYMXXVJEJCS-UHFFFAOYSA-N
XLogP2.08
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365200) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is CCOc1ncccc1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is MWFZYMXXVJEJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-3-25-14-10(5-4-6-17-14)8-19-16(23)20-13-7-12-11(9-18-13)15(24-2)22-21-12/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H2,18,19,20,23).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 342.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).