5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C23H23N3O4 — CID 46884619

IUPAC5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-16-7-6-15(12-17(16)25-24-14)22(28)26-10-8-23(9-11-26)13-18(27)21-19(29-2)4-3-5-20(21)30-23/h3-7,12H,8-11,13H2,1-2H3,(H,24,25)
InChIKeySFTYVWKSSUOPMW-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds2

About 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884619) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884619
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-16-7-6-15(12-17(16)25-24-14)22(28)26-10-8-23(9-11-26)13-18(27)21-19(29-2)4-3-5-20(21)30-23/h3-7,12H,8-11,13H2,1-2H3,(H,24,25)
InChIKeySFTYVWKSSUOPMW-UHFFFAOYSA-N
XLogP3.52
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.52
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
5-methoxy-1''-(7-methyl-1H-indazole-5-carbonyl)spiro[chroman-2,4''-piperidin]-4-one
CID 46884570
6,7-dimethyl-1''-(3-methyl-1H-indazole-6-carbonyl)spiro[chroman-2,4''-piperidin]-4-one
CID 46884571
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
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
1'-(7-ethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884621
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884622
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884797
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(5-methyl-1H-pyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884799

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884619) is 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2.
What is the InChIKey of 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SFTYVWKSSUOPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-16-7-6-15(12-17(16)25-24-14)22(28)26-10-8-23(9-11-26)13-18(27)21-19(29-2)4-3-5-20(21)30-23/h3-7,12H,8-11,13H2,1-2H3,(H,24,25).
What are the key properties of 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 405.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).