1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea

C21H16N4O — CID 141111395

IUPAC1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1c2cccc(-c3ccccc3)c21
InChIInChI=1S/C21H16N4O/c26-21(23-17-10-5-11-18-16(17)12-22-25-18)24-20-15-9-4-8-14(19(15)20)13-6-2-1-3-7-13/h1-12,20H,(H,22,25)(H2,23,24,26)
InChIKeyZOQLDZNZAIWOLF-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.45
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea

1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea (PubChem CID 141111395) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea
PubChem CID141111395
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1c2cccc(-c3ccccc3)c21
InChIInChI=1S/C21H16N4O/c26-21(23-17-10-5-11-18-16(17)12-22-25-18)24-20-15-9-4-8-14(19(15)20)13-6-2-1-3-7-13/h1-12,20H,(H,22,25)(H2,23,24,26)
InChIKeyZOQLDZNZAIWOLF-UHFFFAOYSA-N
XLogP4.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea (CID 141111395) is 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea is O=C(Nc1cccc2[nH]ncc12)NC1c2cccc(-c3ccccc3)c21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea?
The InChIKey is ZOQLDZNZAIWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(23-17-10-5-11-18-16(17)12-22-25-18)24-20-15-9-4-8-14(19(15)20)13-6-2-1-3-7-13/h1-12,20H,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea?
1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea has a molecular weight of 340.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea is sourced from PubChem (CID 141111395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).