1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C26H26N6O5 — CID 143724545

IUPAC1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4nn[nH]n4)ccc2O3)cc2c1ccn2OC
InChIInChI=1S/C26H26N6O5/c1-3-36-23-14-17(13-20-18(23)6-9-32(20)35-2)25(34)31-10-7-26(8-11-31)15-21(33)19-12-16(4-5-22(19)37-26)24-27-29-30-28-24/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3,(H,27,28,29,30)
InChIKeyPGTGTEQXZGYRFD-UHFFFAOYSA-N
MW502.53 g/mol
LogP2.92
Rot. Bonds5

About 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 143724545) has the molecular formula C26H26N6O5 and a molecular weight of 502.53 g/mol. Its IUPAC name is 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID143724545
Molecular FormulaC26H26N6O5
Molecular Weight502.53 g/mol
Exact Mass502.20
IUPAC Name1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4nn[nH]n4)ccc2O3)cc2c1ccn2OC
InChIInChI=1S/C26H26N6O5/c1-3-36-23-14-17(13-20-18(23)6-9-32(20)35-2)25(34)31-10-7-26(8-11-31)15-21(33)19-12-16(4-5-22(19)37-26)24-27-29-30-28-24/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3,(H,27,28,29,30)
InChIKeyPGTGTEQXZGYRFD-UHFFFAOYSA-N
XLogP2.92
TPSA124.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66649446
CID 66649446
5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
CID 59761582
1'-(1-methyl-3-phenylindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 25001895
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
CID 66782610
CID 66782610
CID 66782062
CID 66782062
CID 66782079
CID 66782079
(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
CID 150433553
3-[4-[6-(5-carbamoyl-2-pyridinyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoate
CID 58208681
sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
CID 173050662
4-[4-[6-(3-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621154
(2-cyclopropyl-7-ethoxy-1,3-benzoxazol-5-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
CID 154485202

Frequently Asked Questions

What is the IUPAC name of 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 143724545) is 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4nn[nH]n4)ccc2O3)cc2c1ccn2OC.
What is the InChIKey of 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PGTGTEQXZGYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O5/c1-3-36-23-14-17(13-20-18(23)6-9-32(20)35-2)25(34)31-10-7-26(8-11-31)15-21(33)19-12-16(4-5-22(19)37-26)24-27-29-30-28-24/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3,(H,27,28,29,30).
What are the key properties of 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 502.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 143724545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).