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

C21H20N4O3 — CID 46884882

IUPAC1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2ncccc2O3)cc2cn[nH]c12
InChIInChI=1S/C21H20N4O3/c1-13-9-14(10-15-12-23-24-18(13)15)20(27)25-7-4-21(5-8-25)11-16(26)19-17(28-21)3-2-6-22-19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H,23,24)
InChIKeySZBATNMOTQEKFQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.91
Rot. Bonds1

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

1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884882) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
PubChem CID46884882
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2ncccc2O3)cc2cn[nH]c12
InChIInChI=1S/C21H20N4O3/c1-13-9-14(10-15-12-23-24-18(13)15)20(27)25-7-4-21(5-8-25)11-16(26)19-17(28-21)3-2-6-22-19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H,23,24)
InChIKeySZBATNMOTQEKFQ-UHFFFAOYSA-N
XLogP2.91
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (CID 46884882) is 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2ncccc2O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The InChIKey is SZBATNMOTQEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-9-14(10-15-12-23-24-18(13)15)20(27)25-7-4-21(5-8-25)11-16(26)19-17(28-21)3-2-6-22-19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H,23,24).
What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one has a molecular weight of 376.42 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).