1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

C21H20N6O — CID 24988686

IUPAC1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCCc1ccnc(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1
InChIInChI=1S/C21H20N6O/c1-3-14-8-9-23-20(10-14)26-21(28)25-16-6-4-15(5-7-16)17-11-22-13-19-18(17)12-24-27(19)2/h4-13H,3H2,1-2H3,(H2,23,25,26,28)
InChIKeyQFXKORCUEXSUFB-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (PubChem CID 24988686) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
PubChem CID24988686
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCCc1ccnc(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1
InChIInChI=1S/C21H20N6O/c1-3-14-8-9-23-20(10-14)26-21(28)25-16-6-4-15(5-7-16)17-11-22-13-19-18(17)12-24-27(19)2/h4-13H,3H2,1-2H3,(H2,23,25,26,28)
InChIKeyQFXKORCUEXSUFB-UHFFFAOYSA-N
XLogP4.24
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (CID 24988686) is 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is CCc1ccnc(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.
What is the InChIKey of 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The InChIKey is QFXKORCUEXSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-14-8-9-23-20(10-14)26-21(28)25-16-6-4-15(5-7-16)17-11-22-13-19-18(17)12-24-27(19)2/h4-13H,3H2,1-2H3,(H2,23,25,26,28).
What are the key properties of 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea has a molecular weight of 372.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 24988686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).