8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C19H22N4O2 — CID 162652587

IUPAC8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cccnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C19H22N4O2/c1-12-7-6-10-20-16(12)21-14-11-13(2)15-17(24)22-19(23(15)18(14)25)8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyAUALXQAIFFXDAP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.96
Rot. Bonds2

About 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 162652587) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID162652587
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cccnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C19H22N4O2/c1-12-7-6-10-20-16(12)21-14-11-13(2)15-17(24)22-19(23(15)18(14)25)8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyAUALXQAIFFXDAP-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 162652587) is 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cccnc1Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O.
What is the InChIKey of 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is AUALXQAIFFXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-7-6-10-20-16(12)21-14-11-13(2)15-17(24)22-19(23(15)18(14)25)8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 338.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(3-methyl-2-pyridinyl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 162652587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).