ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C25H28N4O5 — CID 155542366

IUPACethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(OC)ccc1O2
InChIInChI=1S/C25H28N4O5/c1-3-33-24(31)29-11-9-25(10-12-29)14-20(19-13-17(32-2)7-8-21(19)34-25)27-23(30)18-6-4-5-16-15-26-28-22(16)18/h4-8,13,15,20H,3,9-12,14H2,1-2H3,(H,26,28)(H,27,30)/t20-/m0/s1
InChIKeyFDPCIOUSMPWEKR-FQEVSTJZSA-N
MW464.52 g/mol
LogP3.82
Rot. Bonds4

About ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 155542366) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID155542366
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Nameethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(OC)ccc1O2
InChIInChI=1S/C25H28N4O5/c1-3-33-24(31)29-11-9-25(10-12-29)14-20(19-13-17(32-2)7-8-21(19)34-25)27-23(30)18-6-4-5-16-15-26-28-22(16)18/h4-8,13,15,20H,3,9-12,14H2,1-2H3,(H,26,28)(H,27,30)/t20-/m0/s1
InChIKeyFDPCIOUSMPWEKR-FQEVSTJZSA-N
XLogP3.82
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 155542366) is ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(OC)ccc1O2.
What is the InChIKey of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is FDPCIOUSMPWEKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-3-33-24(31)29-11-9-25(10-12-29)14-20(19-13-17(32-2)7-8-21(19)34-25)27-23(30)18-6-4-5-16-15-26-28-22(16)18/h4-8,13,15,20H,3,9-12,14H2,1-2H3,(H,26,28)(H,27,30)/t20-/m0/s1.
What are the key properties of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 155542366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).