3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C25H27N7O — CID 167179037

IUPAC3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCn1cnc(-c2ccc(N3CCN(Cc4cnc5cc(C6CC6)c(=O)[nH]c5c4)CC3)cn2)c1
InChIInChI=1S/C25H27N7O/c1-30-15-24(28-16-30)21-5-4-19(13-27-21)32-8-6-31(7-9-32)14-17-10-23-22(26-12-17)11-20(18-2-3-18)25(33)29-23/h4-5,10-13,15-16,18H,2-3,6-9,14H2,1H3,(H,29,33)
InChIKeyCJEBSASHIRXVCT-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.92
Rot. Bonds5

About 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 167179037) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID167179037
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCn1cnc(-c2ccc(N3CCN(Cc4cnc5cc(C6CC6)c(=O)[nH]c5c4)CC3)cn2)c1
InChIInChI=1S/C25H27N7O/c1-30-15-24(28-16-30)21-5-4-19(13-27-21)32-8-6-31(7-9-32)14-17-10-23-22(26-12-17)11-20(18-2-3-18)25(33)29-23/h4-5,10-13,15-16,18H,2-3,6-9,14H2,1H3,(H,29,33)
InChIKeyCJEBSASHIRXVCT-UHFFFAOYSA-N
XLogP2.92
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 167179036
N-cyclopropyl-5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166021917
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167367293
5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide
CID 175789458
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 175428096
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
trans-(1R,2S)-N-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 172538757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 167179037) is 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is Cn1cnc(-c2ccc(N3CCN(Cc4cnc5cc(C6CC6)c(=O)[nH]c5c4)CC3)cn2)c1.
What is the InChIKey of 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is CJEBSASHIRXVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-30-15-24(28-16-30)21-5-4-19(13-27-21)32-8-6-31(7-9-32)14-17-10-23-22(26-12-17)11-20(18-2-3-18)25(33)29-23/h4-5,10-13,15-16,18H,2-3,6-9,14H2,1H3,(H,29,33).
What are the key properties of 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 441.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 167179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).