1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one

C27H28N8O4 — CID 143724675

IUPAC1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccn[nH]4)ccc2O3)cc(-c2nnnn2C)c1
InChIInChI=1S/C27H28N8O4/c1-3-38-20-13-17(25-31-32-33-34(25)2)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-30-24/h4-6,9,12-15H,3,7-8,10-11,16H2,1-2H3,(H2,28,29,30)
InChIKeyAOEUHYRGOZBQPA-UHFFFAOYSA-N
MW528.57 g/mol
LogP3.38
Rot. Bonds6

About 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 143724675) has the molecular formula C27H28N8O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID143724675
Molecular FormulaC27H28N8O4
Molecular Weight528.57 g/mol
Exact Mass528.22
IUPAC Name1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccn[nH]4)ccc2O3)cc(-c2nnnn2C)c1
InChIInChI=1S/C27H28N8O4/c1-3-38-20-13-17(25-31-32-33-34(25)2)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-30-24/h4-6,9,12-15H,3,7-8,10-11,16H2,1-2H3,(H2,28,29,30)
InChIKeyAOEUHYRGOZBQPA-UHFFFAOYSA-N
XLogP3.38
TPSA140.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)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 66782610
CID 66782610
[1-cyclopropyl-4-ethoxy-6-[6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]indol-3-yl] hydrogen carbonate
CID 70893657
6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 66649469
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724545
CID 66782079
CID 66782079
4-[4-[6-(3-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621154
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6-bromo-7-methyl-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69071495
CID 66649446
CID 66649446
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884754

Frequently Asked Questions

What is the IUPAC name of 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 143724675) is 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccn[nH]4)ccc2O3)cc(-c2nnnn2C)c1.
What is the InChIKey of 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is AOEUHYRGOZBQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O4/c1-3-38-20-13-17(25-31-32-33-34(25)2)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-30-24/h4-6,9,12-15H,3,7-8,10-11,16H2,1-2H3,(H2,28,29,30).
What are the key properties of 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 528.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 143724675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).