2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

C24H24N6O — CID 153018461

IUPAC2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3n2)n1C
InChIInChI=1S/C24H24N6O/c1-16-26-15-22(29(16)2)20-6-5-18-14-27-19(12-21(18)28-20)13-23(31)17-7-8-25-24(11-17)30-9-3-4-10-30/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3
InChIKeyVBLLCSQLCZXKIM-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (PubChem CID 153018461) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
PubChem CID153018461
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3n2)n1C
InChIInChI=1S/C24H24N6O/c1-16-26-15-22(29(16)2)20-6-5-18-14-27-19(12-21(18)28-20)13-23(31)17-7-8-25-24(11-17)30-9-3-4-10-30/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3
InChIKeyVBLLCSQLCZXKIM-UHFFFAOYSA-N
XLogP3.76
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
CID 159636960
N-[6-(2,3-dimethylimidazol-4-yl)-1,5-naphthyridin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589015
1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158419194
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160774844
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147499444
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperazin-1-ylphenyl)ethanone
CID 152989375
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159348994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (CID 153018461) is 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3n2)n1C.
What is the InChIKey of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is VBLLCSQLCZXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-26-15-22(29(16)2)20-6-5-18-14-27-19(12-21(18)28-20)13-23(31)17-7-8-25-24(11-17)30-9-3-4-10-30/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3.
What are the key properties of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 412.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 153018461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).