1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea

C24H28N4O2 — CID 24804626

About 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea

1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 24804626) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
• PubChem CID: 24804626
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
• SMILES: CC(C)(C)c1ccc2c(c1)OC1(CCC1)CC2NC(=O)Nc1cccc2[nH]ncc12
• InChI: InChI=1S/C24H28N4O2/c1-23(2,3)15-8-9-16-20(13-24(10-5-11-24)30-21(16)12-15)27-22(29)26-18-6-4-7-19-17(18)14-25-28-19/h4,6-9,12,14,20H,5,10-11,13H2,1-3H3,(H,25,28)(H2,26,27,29)
• InChIKey: KCIJXUKBFWVXAA-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 79.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea?

The IUPAC name of 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea (CID 24804626) is 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea.

What is the SMILES notation for 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea?

The canonical SMILES for 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea is CC(C)(C)c1ccc2c(c1)OC1(CCC1)CC2NC(=O)Nc1cccc2[nH]ncc12.

What is the InChIKey of 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea?

The InChIKey is KCIJXUKBFWVXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-23(2,3)15-8-9-16-20(13-24(10-5-11-24)30-21(16)12-15)27-22(29)26-18-6-4-7-19-17(18)14-25-28-19/h4,6-9,12,14,20H,5,10-11,13H2,1-3H3,(H,25,28)(H2,26,27,29).

What are the key properties of 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea?

1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 404.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 24804626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).