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

C23H23N3O4 — CID 69076910

IUPAC1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-10-18(29-2)20-17(27)12-23(30-19(20)11-14)6-8-26(9-7-23)22(28)16-5-3-4-15-13-24-25-21(15)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyFVKVWHNKTGIWJS-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds2

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

1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 69076910) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID69076910
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-10-18(29-2)20-17(27)12-23(30-19(20)11-14)6-8-26(9-7-23)22(28)16-5-3-4-15-13-24-25-21(15)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyFVKVWHNKTGIWJS-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

5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-7-yl)methanone
CID 38448028
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758540
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
1'-(2,4-difluorobenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726359
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739905
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884754
5,7-dimethoxy-1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726292

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 69076910) is 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2.
What is the InChIKey of 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FVKVWHNKTGIWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-10-18(29-2)20-17(27)12-23(30-19(20)11-14)6-8-26(9-7-23)22(28)16-5-3-4-15-13-24-25-21(15)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25).
What are the key properties of 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[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 1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 69076910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).