1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C24H25N3O4 — CID 46884621

IUPAC1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(OC)cccc2O3)cc2cn[nH]c12
InChIInChI=1S/C24H25N3O4/c1-3-15-11-16(12-17-14-25-26-22(15)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-2)5-4-6-20(21)31-24/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,25,26)
InChIKeyWNWMBBOWDDUFOF-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.77
Rot. Bonds3

About 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884621) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884621
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(OC)cccc2O3)cc2cn[nH]c12
InChIInChI=1S/C24H25N3O4/c1-3-15-11-16(12-17-14-25-26-22(15)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-2)5-4-6-20(21)31-24/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,25,26)
InChIKeyWNWMBBOWDDUFOF-UHFFFAOYSA-N
XLogP3.77
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1h-Indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one
CID 45100495
6,7-Dimethyl-1'-[(7-Methyl-1h-Indazol-5-Yl)carbonyl]spiro[chromene-2,4'-Piperidin]-4(3h)-One
CID 46884569
1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[chroman-2,4'-piperidin]-4-one
CID 24957986
5-methoxy-1''-(7-methyl-1H-indazole-5-carbonyl)spiro[chroman-2,4''-piperidin]-4-one
CID 46884570
1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884620
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
1'-(7-methyl-1H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 46884753
1''-(1H-indazole-7-carbonyl)-7-methylspiro[chroman-2,4''-piperidin]-4-one
CID 46885251
1''-(1H-indazole-7-carbonyl)-6-methoxyspiro[chroman-2,4''-piperidin]-4-one
CID 46885252
1''-(1H-indazole-7-carbonyl)-6,8-dimethylspiro[chroman-2,4''-piperidin]-4-one
CID 46885303
1''-(1H-indazole-7-carbonyl)-5-methoxyspiro[chroman-2,4''-piperidin]-4-one
CID 46885304
ethyl 4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386223

Frequently Asked Questions

What is the IUPAC name of 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884621) is 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is CCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(OC)cccc2O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WNWMBBOWDDUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-15-11-16(12-17-14-25-26-22(15)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-2)5-4-6-20(21)31-24/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,25,26).
What are the key properties of 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).