ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C24H26N4O4 — CID 137386223

IUPACethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2
InChIInChI=1S/C24H26N4O4/c1-2-31-23(30)28-12-10-24(11-13-28)14-19(17-7-3-4-9-20(17)32-24)26-22(29)18-8-5-6-16-15-25-27-21(16)18/h3-9,15,19H,2,10-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyOXJLFUFFFCPXHH-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.81
Rot. Bonds3

About ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 137386223) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID137386223
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nameethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2
InChIInChI=1S/C24H26N4O4/c1-2-31-23(30)28-12-10-24(11-13-28)14-19(17-7-3-4-9-20(17)32-24)26-22(29)18-8-5-6-16-15-25-27-21(16)18/h3-9,15,19H,2,10-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyOXJLFUFFFCPXHH-UHFFFAOYSA-N
XLogP3.81
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 137386223) is ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2.
What is the InChIKey of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is OXJLFUFFFCPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-31-23(30)28-12-10-24(11-13-28)14-19(17-7-3-4-9-20(17)32-24)26-22(29)18-8-5-6-16-15-25-27-21(16)18/h3-9,15,19H,2,10-14H2,1H3,(H,25,27)(H,26,29).
What are the key properties of ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 434.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 137386223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).