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

C22H21N3O4 — CID 46885304

IUPAC1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C22H21N3O4/c1-28-17-6-3-7-18-19(17)16(26)12-22(29-18)8-10-25(11-9-22)21(27)15-5-2-4-14-13-23-24-20(14)15/h2-7,13H,8-12H2,1H3,(H,23,24)
InChIKeyCISXUVKUAIERRI-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.21
Rot. Bonds2

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

1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46885304) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46885304
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2
InChIInChI=1S/C22H21N3O4/c1-28-17-6-3-7-18-19(17)16(26)12-22(29-18)8-10-25(11-9-22)21(27)15-5-2-4-14-13-23-24-20(14)15/h2-7,13H,8-12H2,1H3,(H,23,24)
InChIKeyCISXUVKUAIERRI-UHFFFAOYSA-N
XLogP3.21
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46885304) is 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cccc4cn[nH]c34)CC1)O2.
What is the InChIKey of 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is CISXUVKUAIERRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-17-6-3-7-18-19(17)16(26)12-22(29-18)8-10-25(11-9-22)21(27)15-5-2-4-14-13-23-24-20(14)15/h2-7,13H,8-12H2,1H3,(H,23,24).
What are the key properties of 1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1H-indazole-7-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 391.43 g/mol, XLogP of 3.21, 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-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46885304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).