3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride

C19H27Cl2N5O2 — CID 172912366

IUPAC3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2cncc2C1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-14-4-6-22(11-15-3-2-5-20-9-15)18(25)17(14)19(26)23-7-8-24-13-21-10-16(24)12-23;;/h4,6,10,13,15,20H,2-3,5,7-9,11-12H2,1H3;2*1H
InChIKeyIURGJFJCIOALPQ-UHFFFAOYSA-N
MW428.36 g/mol
LogP1.85
Rot. Bonds3

About 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride

3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride (PubChem CID 172912366) has the molecular formula C19H27Cl2N5O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
PubChem CID172912366
Molecular FormulaC19H27Cl2N5O2
Molecular Weight428.36 g/mol
Exact Mass427.15
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2cncc2C1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-14-4-6-22(11-15-3-2-5-20-9-15)18(25)17(14)19(26)23-7-8-24-13-21-10-16(24)12-23;;/h4,6,10,13,15,20H,2-3,5,7-9,11-12H2,1H3;2*1H
InChIKeyIURGJFJCIOALPQ-UHFFFAOYSA-N
XLogP1.85
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
3-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172660482
4-methyl-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172668051
4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172669115
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910355
3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172913399
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910357
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172672652

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride (CID 172912366) is 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2cncc2C1.Cl.Cl.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The InChIKey is IURGJFJCIOALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.2ClH/c1-14-4-6-22(11-15-3-2-5-20-9-15)18(25)17(14)19(26)23-7-8-24-13-21-10-16(24)12-23;;/h4,6,10,13,15,20H,2-3,5,7-9,11-12H2,1H3;2*1H.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 172912366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).