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

C23H23N3O4 — CID 46884570

IUPAC5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-10-15(11-16-13-24-25-21(14)16)22(28)26-8-6-23(7-9-26)12-17(27)20-18(29-2)4-3-5-19(20)30-23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyNAKOCLNERWRZBE-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds2

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

5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884570) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884570
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H23N3O4/c1-14-10-15(11-16-13-24-25-21(14)16)22(28)26-8-6-23(7-9-26)12-17(27)20-18(29-2)4-3-5-19(20)30-23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
InChIKeyNAKOCLNERWRZBE-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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884570) is 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2.
What is the InChIKey of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NAKOCLNERWRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-10-15(11-16-13-24-25-21(14)16)22(28)26-8-6-23(7-9-26)12-17(27)20-18(29-2)4-3-5-19(20)30-23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25).
What are the key properties of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
5-methoxy-1'-(7-methyl-1H-indazole-5-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'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).