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

C23H24N4O4 — CID 46884924

IUPAC5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1nc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
InChIKeyZWYRWHZIJAUHPE-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.22
Rot. Bonds2

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

5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884924) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46884924
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCOc1nc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
InChIKeyZWYRWHZIJAUHPE-UHFFFAOYSA-N
XLogP3.22
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-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-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46884924) is 5-methoxy-7-methyl-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-7-methyl-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-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is COc1nc(C)cc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2.
What is the InChIKey of 5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is ZWYRWHZIJAUHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26).
What are the key properties of 5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
5-methoxy-7-methyl-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 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).