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

C17H18N6O — CID 53236207

IUPAC1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC4CCC4)ccnc3c2)cn1
InChIInChI=1S/C17H18N6O/c1-23-10-12(9-20-23)11-7-15-16(19-8-11)14(5-6-18-15)22-17(24)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H2,18,21,22,24)
InChIKeyYYLIBVSMZZUYKS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.70
Rot. Bonds3

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

1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (PubChem CID 53236207) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
PubChem CID53236207
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC4CCC4)ccnc3c2)cn1
InChIInChI=1S/C17H18N6O/c1-23-10-12(9-20-23)11-7-15-16(19-8-11)14(5-6-18-15)22-17(24)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H2,18,21,22,24)
InChIKeyYYLIBVSMZZUYKS-UHFFFAOYSA-N
XLogP2.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The IUPAC name of 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (CID 53236207) is 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The canonical SMILES for 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is Cn1cc(-c2cnc3c(NC(=O)NC4CCC4)ccnc3c2)cn1.
What is the InChIKey of 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The InChIKey is YYLIBVSMZZUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23-10-12(9-20-23)11-7-15-16(19-8-11)14(5-6-18-15)22-17(24)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H2,18,21,22,24).
What are the key properties of 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is sourced from PubChem (CID 53236207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).