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

C17H20N6O — CID 53239593

IUPAC1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)cn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)22-16(24)21-13-5-6-18-14-7-11(8-19-15(13)14)12-9-20-23(4)10-12/h5-10H,1-4H3,(H2,18,21,22,24)
InChIKeyINYFZUAYEBZZFA-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.95
Rot. Bonds2

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

1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (PubChem CID 53239593) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
PubChem CID53239593
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)cn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)22-16(24)21-13-5-6-18-14-7-11(8-19-15(13)14)12-9-20-23(4)10-12/h5-10H,1-4H3,(H2,18,21,22,24)
InChIKeyINYFZUAYEBZZFA-UHFFFAOYSA-N
XLogP2.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (CID 53239593) is 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is Cn1cc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)cn1.
What is the InChIKey of 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The InChIKey is INYFZUAYEBZZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)22-16(24)21-13-5-6-18-14-7-11(8-19-15(13)14)12-9-20-23(4)10-12/h5-10H,1-4H3,(H2,18,21,22,24).
What are the key properties of 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea has a molecular weight of 324.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is sourced from PubChem (CID 53239593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).