2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one

C25H32ClN5O — CID 143054314

IUPAC2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one
SMILESCCCC=Cc1c(C)n(C)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1ccccc1Cl
InChIInChI=1S/C25H32ClN5O/c1-4-5-6-12-20-17(2)29(3)24(32)23-22(20)28-25(30-14-9-11-19(27)16-30)31(23)15-18-10-7-8-13-21(18)26/h6-8,10,12-13,19H,4-5,9,11,14-16,27H2,1-3H3
InChIKeyFRTGOSFOJYKEGK-UHFFFAOYSA-N
MW454.02 g/mol
LogP4.49
Rot. Bonds6

About 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one

2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one (PubChem CID 143054314) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one
PubChem CID143054314
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC Name2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one
SMILESCCCC=Cc1c(C)n(C)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1ccccc1Cl
InChIInChI=1S/C25H32ClN5O/c1-4-5-6-12-20-17(2)29(3)24(32)23-22(20)28-25(30-14-9-11-19(27)16-30)31(23)15-18-10-7-8-13-21(18)26/h6-8,10,12-13,19H,4-5,9,11,14-16,27H2,1-3H3
InChIKeyFRTGOSFOJYKEGK-UHFFFAOYSA-N
XLogP4.49
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1,2-dimethylpurin-6-one
CID 142960613
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-fluoro-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71458240
methyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-6-carboxylate;hydrochloride
CID 71460093
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 11408068
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6,8-difluoro-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-6,8-difluoro-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylate;dihydrochloride
CID 158740745
8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione
CID 59990719
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-6-(1,3-oxazol-5-yl)imidazo[4,5-c]pyridin-4-one
CID 11750998
2-[(3S)-3-aminopiperidin-1-yl]-3-benzyl-5,6-dimethylimidazo[4,5-d]pyridazine-4,7-dione;dihydrochloride
CID 11339674
8-(3-aminopiperidin-1-yl)-7-hex-2-enyl-1,3-dimethylpurine-2,6-dione
CID 66724021
2-[8-(3-aminopiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]-N-pyridin-2-ylacetamide
CID 22508632
3-[(2-aminophenyl)methyl]-2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloroquinazolin-4-one
CID 70341723

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one (CID 143054314) is 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one is CCCC=Cc1c(C)n(C)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1ccccc1Cl.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one?
The InChIKey is FRTGOSFOJYKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-4-5-6-12-20-17(2)29(3)24(32)23-22(20)28-25(30-14-9-11-19(27)16-30)31(23)15-18-10-7-8-13-21(18)26/h6-8,10,12-13,19H,4-5,9,11,14-16,27H2,1-3H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one?
2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one has a molecular weight of 454.02 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5,6-dimethyl-7-pent-1-enylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 143054314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).