1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea

C21H20N6O — CID 53236676

IUPAC1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C21H20N6O/c1-27-14-17(13-25-27)16-11-19-20(24-12-16)18(8-10-22-19)26-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-14H,7,9H2,1H3,(H2,22,23,26,28)
InChIKeyOKCZVVCPRPBMFA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.39
Rot. Bonds5

About 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea

1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea (PubChem CID 53236676) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
PubChem CID53236676
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C21H20N6O/c1-27-14-17(13-25-27)16-11-19-20(24-12-16)18(8-10-22-19)26-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-14H,7,9H2,1H3,(H2,22,23,26,28)
InChIKeyOKCZVVCPRPBMFA-UHFFFAOYSA-N
XLogP3.39
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea (CID 53236676) is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea is Cn1cc(-c2cnc3c(NC(=O)NCCc4ccccc4)ccnc3c2)cn1.
What is the InChIKey of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea?
The InChIKey is OKCZVVCPRPBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-14-17(13-25-27)16-11-19-20(24-12-16)18(8-10-22-19)26-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-14H,7,9H2,1H3,(H2,22,23,26,28).
What are the key properties of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea?
1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea has a molecular weight of 372.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 53236676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).