1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one

C18H20N4O2 — CID 146042249

IUPAC1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one
SMILESCOc1ccc(C)nc1N1CCCC2(C1)C(=O)Nc1cccnc12
InChIInChI=1S/C18H20N4O2/c1-12-6-7-14(24-2)16(20-12)22-10-4-8-18(11-22)15-13(21-17(18)23)5-3-9-19-15/h3,5-7,9H,4,8,10-11H2,1-2H3,(H,21,23)
InChIKeyZRKSVVUDHNKDGP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.28
Rot. Bonds2

About 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one

1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one (PubChem CID 146042249) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one
PubChem CID146042249
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one
SMILESCOc1ccc(C)nc1N1CCCC2(C1)C(=O)Nc1cccnc12
InChIInChI=1S/C18H20N4O2/c1-12-6-7-14(24-2)16(20-12)22-10-4-8-18(11-22)15-13(21-17(18)23)5-3-9-19-15/h3,5-7,9H,4,8,10-11H2,1-2H3,(H,21,23)
InChIKeyZRKSVVUDHNKDGP-UHFFFAOYSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one (CID 146042249) is 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one is COc1ccc(C)nc1N1CCCC2(C1)C(=O)Nc1cccnc12.
What is the InChIKey of 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one?
The InChIKey is ZRKSVVUDHNKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-6-7-14(24-2)16(20-12)22-10-4-8-18(11-22)15-13(21-17(18)23)5-3-9-19-15/h3,5-7,9H,4,8,10-11H2,1-2H3,(H,21,23).
What are the key properties of 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one?
1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxy-6-methyl-2-pyridinyl)spiro[1H-pyrrolo[3,2-b]pyridine-3,3'-piperidine]-2-one is sourced from PubChem (CID 146042249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).