2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide

C24H28N8O3 — CID 58379660

IUPAC2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(=O)N(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H28N8O3/c1-29(2)20(33)14-31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3
InChIKeyVMQKJOBTEJANRR-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 58379660) has the molecular formula C24H28N8O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID58379660
Molecular FormulaC24H28N8O3
Molecular Weight476.54 g/mol
Exact Mass476.23
IUPAC Name2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(=O)N(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H28N8O3/c1-29(2)20(33)14-31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3
InChIKeyVMQKJOBTEJANRR-UHFFFAOYSA-N
XLogP1.47
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

PF-04979064
CID 46866705
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Ethanone, 1-(7,8-dihydro-2-((9-(trans-4-methylcyclohexyl)-9H-pyrido(4',3':4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-1,6-naphthyridin-6(5H)-yl)-2-hydroxy-
CID 60202647
1-[1-(2-Hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379507
1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 53474010
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474095
UR-12670
CID 9867789
2-(Benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10503870
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 58379660) is 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(=O)N(C)C)CC2)c(=O)n4C)cn1.
What is the InChIKey of 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VMQKJOBTEJANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3/c1-29(2)20(33)14-31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3.
What are the key properties of 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 476.54 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 58379660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).