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

C21H20N4O3 — CID 46884885

IUPAC1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1[nH]nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12
InChIInChI=1S/C21H20N4O3/c1-13-15-11-14(4-5-16(15)24-23-13)20(27)25-9-6-21(7-10-25)12-17(26)19-18(28-21)3-2-8-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,24)
InChIKeyAWDUCGUPVPPYFH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.91
Rot. Bonds1

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

1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884885) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
PubChem CID46884885
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1[nH]nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12
InChIInChI=1S/C21H20N4O3/c1-13-15-11-14(4-5-16(15)24-23-13)20(27)25-9-6-21(7-10-25)12-17(26)19-18(28-21)3-2-8-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,24)
InChIKeyAWDUCGUPVPPYFH-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'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (CID 46884885) is 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is Cc1[nH]nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12.
What is the InChIKey of 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The InChIKey is AWDUCGUPVPPYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-15-11-14(4-5-16(15)24-23-13)20(27)25-9-6-21(7-10-25)12-17(26)19-18(28-21)3-2-8-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,24).
What are the key properties of 1'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
1'-(3-methyl-2H-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'-(3-methyl-2H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).