1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea

C20H18N6O — CID 53236674

IUPAC1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C20H18N6O/c1-26-13-16(12-24-26)15-9-18-19(22-11-15)17(7-8-21-18)25-20(27)23-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,21,23,25,27)
InChIKeyVVHXXHFJRLVGEJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.35
Rot. Bonds4

About 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea

1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (PubChem CID 53236674) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
PubChem CID53236674
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C20H18N6O/c1-26-13-16(12-24-26)15-9-18-19(22-11-15)17(7-8-21-18)25-20(27)23-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,21,23,25,27)
InChIKeyVVHXXHFJRLVGEJ-UHFFFAOYSA-N
XLogP3.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The IUPAC name of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (CID 53236674) is 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is Cn1cc(-c2cnc3c(NC(=O)NCc4ccccc4)ccnc3c2)cn1.
What is the InChIKey of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The InChIKey is VVHXXHFJRLVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-26-13-16(12-24-26)15-9-18-19(22-11-15)17(7-8-21-18)25-20(27)23-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,21,23,25,27).
What are the key properties of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea has a molecular weight of 358.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is sourced from PubChem (CID 53236674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).