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

C22H22N4O4 — CID 46884955

IUPAC5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1nccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H22N4O4/c1-13-9-14(10-15-12-24-25-19(13)15)21(28)26-7-4-22(5-8-26)11-16(27)18-17(30-22)3-6-23-20(18)29-2/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3,(H,24,25)
InChIKeyINARGIQAACJYMF-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.92
Rot. Bonds2

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

5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884955) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46884955
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1nccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H22N4O4/c1-13-9-14(10-15-12-24-25-19(13)15)21(28)26-7-4-22(5-8-26)11-16(27)18-17(30-22)3-6-23-20(18)29-2/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3,(H,24,25)
InChIKeyINARGIQAACJYMF-UHFFFAOYSA-N
XLogP2.92
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46884955) is 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is COc1nccc2c1C(=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-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is INARGIQAACJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-9-14(10-15-12-24-25-19(13)15)21(28)26-7-4-22(5-8-26)11-16(27)18-17(30-22)3-6-23-20(18)29-2/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3,(H,24,25).
What are the key properties of 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one has a molecular weight of 406.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).