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

C19H16N6O — CID 53236671

IUPAC1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea
SMILESCn1cc(-c2cnc3ccc(NC(=O)Nc4ccccc4)nc3c2)cn1
InChIInChI=1S/C19H16N6O/c1-25-12-14(11-21-25)13-9-17-16(20-10-13)7-8-18(23-17)24-19(26)22-15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,24,26)
InChIKeyNWEIOMWQAHZBEE-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.67
Rot. Bonds3

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

1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea (PubChem CID 53236671) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea
PubChem CID53236671
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea
SMILESCn1cc(-c2cnc3ccc(NC(=O)Nc4ccccc4)nc3c2)cn1
InChIInChI=1S/C19H16N6O/c1-25-12-14(11-21-25)13-9-17-16(20-10-13)7-8-18(23-17)24-19(26)22-15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,24,26)
InChIKeyNWEIOMWQAHZBEE-UHFFFAOYSA-N
XLogP3.67
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.67
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-2-yl]-3-phenylurea?
The IUPAC name of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea (CID 53236671) is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea is Cn1cc(-c2cnc3ccc(NC(=O)Nc4ccccc4)nc3c2)cn1.
What is the InChIKey of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea?
The InChIKey is NWEIOMWQAHZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-25-12-14(11-21-25)13-9-17-16(20-10-13)7-8-18(23-17)24-19(26)22-15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,24,26).
What are the key properties of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea?
1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea has a molecular weight of 344.38 g/mol, XLogP of 3.67, 3 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-2-yl]-3-phenylurea is sourced from PubChem (CID 53236671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).