1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one

C19H24N6O — CID 129342215

IUPAC1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCc1cccn2c(CN[C@H]3CCCN(c4nccn(C)c4=O)C3)cnc12
InChIInChI=1S/C19H24N6O/c1-14-5-3-9-25-16(12-22-17(14)25)11-21-15-6-4-8-24(13-15)18-19(26)23(2)10-7-20-18/h3,5,7,9-10,12,15,21H,4,6,8,11,13H2,1-2H3/t15-/m0/s1
InChIKeySMVRRZQJUXQQHL-HNNXBMFYSA-N
MW352.44 g/mol
LogP1.50
Rot. Bonds4

About 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129342215) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
PubChem CID129342215
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCc1cccn2c(CN[C@H]3CCCN(c4nccn(C)c4=O)C3)cnc12
InChIInChI=1S/C19H24N6O/c1-14-5-3-9-25-16(12-22-17(14)25)11-21-15-6-4-8-24(13-15)18-19(26)23(2)10-7-20-18/h3,5,7,9-10,12,15,21H,4,6,8,11,13H2,1-2H3/t15-/m0/s1
InChIKeySMVRRZQJUXQQHL-HNNXBMFYSA-N
XLogP1.50
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one (CID 129342215) is 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one is Cc1cccn2c(CN[C@H]3CCCN(c4nccn(C)c4=O)C3)cnc12.
What is the InChIKey of 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is SMVRRZQJUXQQHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-5-3-9-25-16(12-22-17(14)25)11-21-15-6-4-8-24(13-15)18-19(26)23(2)10-7-20-18/h3,5,7,9-10,12,15,21H,4,6,8,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129342215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).