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

C22H22N4O4 — CID 46884881

IUPAC6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1cc2c(cn1)OC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)CC2=O
InChIInChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)
InChIKeyQTGNHBQKKRELGQ-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.92
Rot. Bonds2

About 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one

6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884881) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46884881
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1cc2c(cn1)OC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)CC2=O
InChIInChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)
InChIKeyQTGNHBQKKRELGQ-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

Analyze 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one (CID 46884881) is 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one is COc1cc2c(cn1)OC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)CC2=O.
What is the InChIKey of 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is QTGNHBQKKRELGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25).
What are the key properties of 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one?
6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-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 6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).