ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate

C24H26N4O4 — CID 25070037

IUPACethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)NC3CC4(CCC4)Oc4cc(C)ccc43)cccc21
InChIInChI=1S/C24H26N4O4/c1-3-31-23(30)28-20-7-4-6-18(17(20)14-25-28)26-22(29)27-19-13-24(10-5-11-24)32-21-12-15(2)8-9-16(19)21/h4,6-9,12,14,19H,3,5,10-11,13H2,1-2H3,(H2,26,27,29)
InChIKeyQOTSPEVOYCXOPF-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.92
Rot. Bonds3

About ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate

ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate (PubChem CID 25070037) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate
PubChem CID25070037
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nameethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)NC3CC4(CCC4)Oc4cc(C)ccc43)cccc21
InChIInChI=1S/C24H26N4O4/c1-3-31-23(30)28-20-7-4-6-18(17(20)14-25-28)26-22(29)27-19-13-24(10-5-11-24)32-21-12-15(2)8-9-16(19)21/h4,6-9,12,14,19H,3,5,10-11,13H2,1-2H3,(H2,26,27,29)
InChIKeyQOTSPEVOYCXOPF-UHFFFAOYSA-N
XLogP4.92
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate?
The IUPAC name of ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate (CID 25070037) is ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate is CCOC(=O)n1ncc2c(NC(=O)NC3CC4(CCC4)Oc4cc(C)ccc43)cccc21.
What is the InChIKey of ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate?
The InChIKey is QOTSPEVOYCXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-31-23(30)28-20-7-4-6-18(17(20)14-25-28)26-22(29)27-19-13-24(10-5-11-24)32-21-12-15(2)8-9-16(19)21/h4,6-9,12,14,19H,3,5,10-11,13H2,1-2H3,(H2,26,27,29).
What are the key properties of ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate?
ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate has a molecular weight of 434.50 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate is sourced from PubChem (CID 25070037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).