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

C23H24N4O4 — CID 46884956

IUPAC5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCCOc1nccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H24N4O4/c1-3-30-21-19-17(28)12-23(31-18(19)4-7-24-21)5-8-27(9-6-23)22(29)15-10-14(2)20-16(11-15)13-25-26-20/h4,7,10-11,13H,3,5-6,8-9,12H2,1-2H3,(H,25,26)
InChIKeyQGSUKXQLNOLGQI-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.31
Rot. Bonds3

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

5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884956) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46884956
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCCOc1nccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H24N4O4/c1-3-30-21-19-17(28)12-23(31-18(19)4-7-24-21)5-8-27(9-6-23)22(29)15-10-14(2)20-16(11-15)13-25-26-20/h4,7,10-11,13H,3,5-6,8-9,12H2,1-2H3,(H,25,26)
InChIKeyQGSUKXQLNOLGQI-UHFFFAOYSA-N
XLogP3.31
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46884956) is 5-ethoxy-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-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is CCOc1nccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2.
What is the InChIKey of 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is QGSUKXQLNOLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-30-21-19-17(28)12-23(31-18(19)4-7-24-21)5-8-27(9-6-23)22(29)15-10-14(2)20-16(11-15)13-25-26-20/h4,7,10-11,13H,3,5-6,8-9,12H2,1-2H3,(H,25,26).
What are the key properties of 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one has a molecular weight of 420.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).